data_2lff_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 2lff _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 ' 7' ' ' LEU . . . . . . . . . . . . . 95.9 mt . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.769 0.319 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 48.7 mt -60.71 -30.05 69.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.877 177.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -58.02 -34.99 70.64 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.764 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.85 -46.6 71.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.579 178.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -65.39 -44.59 87.06 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.69 179.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -57.81 -42.33 84.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.042 179.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -65.26 -46.47 80.36 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.659 179.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.497 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -59.7 -46.53 93.86 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.877 -0.677 . . . . 0.0 112.237 178.707 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.49 ' O ' ' HG2' ' A' ' 19' ' ' LYS . 76.3 mt -62.65 -40.72 89.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.633 0.254 . . . . 0.0 111.107 179.227 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -61.98 -40.78 96.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.765 0.317 . . . . 0.0 110.639 -178.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.468 ' O ' HG23 ' A' ' 21' ' ' VAL . 64.3 mt -65.98 -40.07 86.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.351 176.633 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 91.5 mt -57.56 -36.11 71.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.318 178.525 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.49 ' HG2' ' O ' ' A' ' 15' ' ' ILE . 30.7 mmmt -56.5 -45.36 81.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.092 0.472 . . . . 0.0 110.348 177.554 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.452 ' HA ' ' OE1' ' A' ' 20' ' ' GLU . 9.4 mm-40 -72.45 -33.64 67.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.594 179.54 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.522 HG22 HD12 ' A' ' 40' ' ' ILE . 76.4 t -59.53 -39.24 78.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.397 176.186 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 90.9 mt -60.54 -39.48 88.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.713 175.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.9 mmmm -65.62 -48.24 72.93 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.668 178.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.448 ' CG ' ' HB3' ' A' ' 32' ' ' GLU . 5.5 mptp? -74.54 -25.19 59.16 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.817 -175.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.84 -42.17 99.64 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.959 0.409 . . . . 0.0 110.077 175.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -72.64 -35.12 67.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.853 176.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -61.12 -48.49 81.42 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.561 175.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.66 58.81 4.35 Favored Glycine 0 N--CA 1.448 -0.514 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.726 176.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -127.07 133.91 50.37 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 110.329 -0.249 . . . . 0.0 110.329 176.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -62.96 -44.16 96.82 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.542 -175.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -63.46 -47.78 80.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.646 0.26 . . . . 0.0 110.692 -177.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.448 ' HB3' ' CG ' ' A' ' 24' ' ' LYS . 37.8 mm-40 -62.15 -44.92 95.56 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.157 177.751 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 33' ' ' LEU . 17.9 mt -65.19 -45.8 83.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.156 -177.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.85 -44.12 86.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.817 0.342 . . . . 0.0 110.708 -179.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.436 ' O ' ' HG2' ' A' ' 39' ' ' GLU . 61.9 ttt180 -59.62 -44.11 93.55 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.451 178.323 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.479 ' O ' HG13 ' A' ' 40' ' ' ILE . 28.6 mt -68.39 -40.23 81.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.087 178.093 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.452 ' O ' HG23 ' A' ' 41' ' ' VAL . 26.5 t-20 -56.26 -44.84 80.11 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 174.722 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 1.031 ' HA ' HE21 ' A' ' 38' ' ' GLN . 0.0 OUTLIER -62.49 -40.84 98.0 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.464 177.804 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 35' ' ' ARG . 64.7 mm-40 -63.1 -41.94 99.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.879 177.158 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.522 HD12 HG22 ' A' ' 21' ' ' VAL . 85.3 mt -59.81 -50.01 81.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 179.41 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 37' ' ' ASN . 89.8 t -53.73 -50.57 50.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.979 -179.134 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt -63.54 -44.07 95.26 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.53 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.92 -47.28 72.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.875 -175.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -64.86 -40.0 94.44 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.592 -177.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.434 ' HG3' HD11 ' A' ' 78' ' ' ILE . 67.1 mttm -69.89 -32.27 70.51 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.521 179.102 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 50.5 tp60 -62.17 -37.09 83.94 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 172.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.599 ' O ' ' HD1' ' A' ' 51' ' ' TYR . . . -62.05 -47.24 91.25 Favored Glycine 0 N--CA 1.448 -0.528 0 CA-C-N 115.039 -0.982 . . . . 0.0 111.543 172.755 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 79.4 t -55.91 -38.65 53.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.794 0.33 . . . . 0.0 110.406 176.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.5 tptm -61.73 -49.75 75.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.56 -179.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 8.6 m -68.5 -37.55 77.92 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.081 0 C-N-CA 120.845 -0.342 . . . . 0.0 111.305 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.599 ' HD1' ' O ' ' A' ' 47' ' ' GLY . 36.9 m-85 -65.82 -49.11 69.39 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 121.032 -0.267 . . . . 0.0 110.788 178.351 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -60.79 -39.39 88.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.116 0.484 . . . . 0.0 110.797 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -64.79 -41.97 95.41 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.585 179.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.06 -32.83 67.44 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.458 179.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.43 -39.47 83.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.484 -179.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -82.82 15.09 2.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.059 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.404 ' HE3' ' HB3' ' A' ' 57' ' ' LYS . 16.1 ttpp -142.61 33.77 1.44 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.57 0.7 . . . . 0.0 109.236 176.063 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -88.21 111.0 21.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.183 -178.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -60.43 -35.04 74.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.176 179.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.408 ' OD1' ' HD2' ' A' ' 61' ' ' PRO . 31.4 t30 -124.11 129.21 24.82 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.612 -178.702 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.408 ' HD2' ' OD1' ' A' ' 60' ' ' ASN . 94.7 Cg_exo -46.15 -34.3 13.14 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 123.503 2.802 . . . . 0.0 113.531 177.291 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -63.98 -32.79 74.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.877 0.37 . . . . 0.0 110.872 178.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.44 ' HE2' HD12 ' A' ' 67' ' ' ILE . 1.4 tmtp? -69.51 -38.02 77.42 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 178.447 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 17.6 ttm-85 -69.47 -40.34 77.16 Favored 'General case' 0 C--O 1.223 -0.319 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.061 175.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -55.77 -45.52 78.11 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 123.182 0.593 . . . . 0.0 111.647 -178.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 92.7 t -65.69 -46.38 89.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.997 0.427 . . . . 0.0 110.316 178.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.44 HD12 ' HE2' ' A' ' 63' ' ' LYS . 52.0 mt -60.34 -48.11 89.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.473 178.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -60.86 -41.2 95.44 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.125 -176.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.452 ' C ' ' HD3' ' A' ' 69' ' ' LYS . 14.1 tmtt? -63.03 -46.42 87.66 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.663 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 17.7 mt -71.63 -37.15 62.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.163 179.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.6 tt -55.5 -47.55 76.02 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 176.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -65.2 -40.76 94.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.129 177.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.435 ' O ' ' HB2' ' A' ' 76' ' ' LYS . 0.4 OUTLIER -60.96 -49.24 78.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.101 -178.841 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.7 -39.55 94.37 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.208 -173.157 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -67.2 -36.45 81.76 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.936 174.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.435 ' HB2' ' O ' ' A' ' 73' ' ' ASP . 25.4 mmmt -58.56 -38.47 77.92 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.86 178.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.572 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 55.1 m170 -61.93 -48.06 82.1 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.299 179.063 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.434 HD11 ' HG3' ' A' ' 45' ' ' LYS . 45.8 mt -61.99 -43.1 97.13 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.297 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.748 -178.311 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -56.91 -37.26 71.19 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.174 179.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 33.1 t-105 -67.7 -52.95 31.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.642 177.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -61.98 -32.11 72.54 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.764 -179.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.654 ' HB3' ' HZ2' ' A' ' 82' ' ' LYS . 5.8 ttpm? -71.39 -39.76 70.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.952 0.406 . . . . 0.0 110.676 178.64 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.52 -24.42 67.12 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.853 -176.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.698 178.581 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -68.51 -44.4 74.75 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.578 176.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -63.95 -36.1 82.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.165 176.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.612 ' O ' HG22 ' A' ' 97' ' ' VAL . 39.3 t80 -66.78 -49.14 66.84 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.65 -174.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.44 -39.51 76.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.477 -178.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 11.1 t -60.92 -42.9 99.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.498 179.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.435 HD12 ' HA ' ' A' ' 96' ' ' LEU . 4.1 mm? -72.68 -32.49 65.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.813 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.612 HG22 ' O ' ' A' ' 93' ' ' PHE . 93.8 t -61.8 -35.04 65.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.591 0.234 . . . . 0.0 110.578 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -56.08 -37.2 69.01 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.505 178.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -69.94 -42.39 73.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.643 -179.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.572 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 4.5 t-160 -63.53 -43.61 96.63 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 178.402 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 48.6 tp -63.16 -48.65 77.52 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.224 -178.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -64.03 -35.57 81.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.072 0.463 . . . . 0.0 110.586 178.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -65.27 -49.1 70.85 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.925 -179.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.415 ' O ' ' HB2' ' A' ' 107' ' ' HIS . 14.2 mm-40 -66.06 -32.62 74.19 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.929 0.395 . . . . 0.0 110.43 -178.593 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -65.76 -33.26 75.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.191 -0.458 . . . . 0.0 109.965 174.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 57.7 ttt-85 -69.88 -35.0 74.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.526 175.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.425 ' HE1' ' HB3' ' A' ' 73' ' ' ASP . 21.5 m170 -59.0 -40.13 83.94 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.836 175.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 57.3 t -61.75 -41.06 89.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.198 176.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -67.62 -36.85 81.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.933 177.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -64.28 -29.87 70.95 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.64 177.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 42.3 mm -87.16 -65.0 0.98 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.442 177.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 . . . . . 0 C--N 1.33 -0.268 0 N-CA-C 112.446 0.536 . . . . 0.0 112.446 -171.354 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.42 HD11 ' N ' ' A' ' 7' ' ' LEU . 6.5 mp . . . . . 0 N--CA 1.455 -0.176 0 CA-C-O 120.905 0.383 . . . . 0.0 110.341 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 77.3 mt -61.79 -45.53 93.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.304 179.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 58.9 tttm -61.99 -34.61 76.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.685 -176.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.41 -46.83 78.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.743 178.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -64.03 -43.3 95.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.665 178.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -64.09 -36.27 83.47 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.955 179.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 53.4 tp60 -66.74 -44.48 81.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.333 179.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.613 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -58.93 -46.58 93.43 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.824 -0.703 . . . . 0.0 111.504 176.524 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.472 HG22 ' CD1' ' A' ' 101' ' ' LEU . 67.7 mt -58.4 -42.68 84.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.844 0.354 . . . . 0.0 110.806 176.53 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -60.92 -41.04 95.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.807 -179.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.511 ' O ' HG23 ' A' ' 21' ' ' VAL . 69.4 mt -68.32 -43.15 84.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.477 176.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.613 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 95.4 mt -57.3 -37.32 72.28 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.45 -178.565 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.51 ' HZ2' ' HB3' ' A' ' 19' ' ' LYS . 9.7 mtpm? -57.47 -45.11 85.19 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-O 120.99 0.424 . . . . 0.0 111.258 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -73.71 -32.15 63.76 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.396 -179.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.594 HG22 HD11 ' A' ' 40' ' ' ILE . 60.3 t -60.87 -37.66 77.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.701 -0.227 . . . . 0.0 110.395 174.42 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 92.4 mt -56.78 -40.28 75.6 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.739 0.304 . . . . 0.0 110.716 175.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 29.8 mmtp -57.26 -46.97 82.56 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.478 0.656 . . . . 0.0 110.139 176.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.547 ' HD2' ' HG2' ' A' ' 32' ' ' GLU . 70.3 mmtt -79.75 -20.69 45.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.937 -1.029 . . . . 0.0 111.879 -173.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.0 -31.89 68.55 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.122 0.487 . . . . 0.0 109.908 174.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -68.09 -42.36 80.47 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.232 174.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -66.53 -48.74 68.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.594 178.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.54 55.22 2.91 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.885 176.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.506 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 28.3 t70 -115.72 114.3 24.64 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 173.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -66.55 -30.56 70.9 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.346 -173.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -65.25 -48.95 71.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.142 0.496 . . . . 0.0 110.113 178.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.547 ' HG2' ' HD2' ' A' ' 24' ' ' LYS . 8.0 tp10 -63.0 -45.49 92.15 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.976 177.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 76.9 mt -59.58 -38.19 80.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.225 179.671 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.509 ' O ' ' HG2' ' A' ' 38' ' ' GLN . . . -65.27 -45.79 83.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.983 179.58 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 57.2 ttp85 -61.59 -46.37 90.13 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.731 177.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.526 ' HB3' HG21 ' A' ' 21' ' ' VAL . 95.4 mt -59.92 -45.2 93.34 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.377 177.556 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.491 ' O ' HG21 ' A' ' 41' ' ' VAL . 66.7 t30 -56.29 -44.11 79.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.925 177.198 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.509 ' HG2' ' O ' ' A' ' 34' ' ' ALA . 14.2 mm100 -57.69 -41.88 82.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.054 178.457 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -67.6 -41.97 83.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.557 179.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.594 HD11 HG22 ' A' ' 21' ' ' VAL . 83.1 mt -58.64 -49.85 81.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.72 178.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.494 HG12 HG21 ' A' ' 78' ' ' ILE . 98.3 t -55.04 -48.51 75.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.454 -177.344 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -64.04 -38.0 89.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.692 0.282 . . . . 0.0 111.47 -179.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.58 -47.18 67.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.649 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.461 ' O ' HG21 ' A' ' 48' ' ' VAL . 8.4 mm-40 -60.7 -38.42 84.95 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.871 178.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.47 ' HE2' HG13 ' A' ' 41' ' ' VAL . 66.3 mttm -59.0 -38.84 80.14 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.922 0.392 . . . . 0.0 110.83 177.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 46.0 tp60 -67.03 -39.23 86.95 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.742 -178.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.14 -44.96 94.96 Favored Glycine 0 N--CA 1.45 -0.392 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.768 176.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.484 HG22 ' HB3' ' A' ' 74' ' ' GLU . 99.3 t -57.56 -40.07 72.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.894 0.378 . . . . 0.0 110.751 177.745 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -65.37 -49.49 69.13 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.118 -179.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 33.1 m -69.71 -31.06 47.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 C-N-CA 121.122 -0.231 . . . . 0.0 111.424 -177.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -71.05 -37.86 72.53 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 121.185 -0.206 . . . . 0.0 110.984 176.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.3 mmtp -67.87 -38.56 83.23 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.393 177.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -62.61 -37.42 86.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.246 0.546 . . . . 0.0 109.663 175.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.552 ' HA ' ' HB3' ' A' ' 57' ' ' LYS . . . -68.43 -32.58 72.71 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.129 177.08 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.9 -39.73 94.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.797 0.332 . . . . 0.0 111.177 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -86.37 -7.11 58.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.459 0.647 . . . . 0.0 110.361 178.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.552 ' HB3' ' HA ' ' A' ' 54' ' ' ALA . 31.5 tptt -87.86 -20.81 25.51 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.007 -0.997 . . . . 0.0 109.863 174.49 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.26 137.9 57.8 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.412 -178.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.2 ttt180 -94.42 -24.92 17.14 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.818 -175.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.499 ' HB2' ' HG2' ' A' ' 63' ' ' LYS . 15.6 m120 -130.32 146.01 59.8 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.488 -175.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -54.76 -39.08 91.25 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.924 2.416 . . . . 0.0 112.398 176.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -59.18 -38.9 80.94 Favored 'General case' 0 N--CA 1.461 0.124 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.581 178.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.499 ' HG2' ' HB2' ' A' ' 60' ' ' ASN . 71.9 mmtt -75.16 -32.95 61.44 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.067 -179.118 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 32.9 ttt180 -62.26 -40.16 95.29 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.186 176.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -55.68 -44.41 77.31 Favored 'General case' 0 N--CA 1.455 -0.217 0 O-C-N 123.286 0.366 . . . . 0.0 111.226 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.9 t -62.56 -48.39 88.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.835 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 63.7 mt -69.46 -42.85 81.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.826 -178.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -59.97 -38.31 82.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.195 -178.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -59.63 -47.75 84.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.06 0.457 . . . . 0.0 110.756 -178.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.479 HG22 ' ND1' ' A' ' 107' ' ' HIS . 26.2 mt -73.62 -38.59 52.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.965 178.415 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -56.34 -48.19 77.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.892 0.377 . . . . 0.0 110.376 178.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.98 -41.99 94.95 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.156 179.484 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.458 ' O ' ' HB3' ' A' ' 76' ' ' LYS . 1.3 t70 -69.33 -37.37 77.67 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.915 -176.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.484 ' HB3' HG22 ' A' ' 48' ' ' VAL . 2.7 tp10 -68.25 -35.42 77.88 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.143 -176.497 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -65.8 -43.26 89.24 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 171.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.458 ' HB3' ' O ' ' A' ' 73' ' ' ASP . 33.7 ttmt -57.47 -39.44 76.39 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.031 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 63.2 m170 -59.34 -47.75 84.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.062 0.458 . . . . 0.0 110.534 177.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.494 HG21 HG12 ' A' ' 41' ' ' VAL . 61.1 mt -61.48 -48.54 88.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.556 -179.081 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -59.41 -36.95 76.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.373 178.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 15.0 t-105 -65.41 -52.29 54.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.582 179.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 25.4 m-70 -60.58 -35.69 76.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.913 177.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.402 ' HD2' ' O ' ' A' ' 82' ' ' LYS . 0.1 OUTLIER -66.78 -35.83 80.99 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 179.057 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.63 -20.65 65.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.597 -179.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.681 -179.106 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.236 0 CA-C-O 121.117 0.484 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.457 ' CD ' ' H ' ' A' ' 91' ' ' GLU . 0.0 OUTLIER -62.11 -41.31 98.1 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.643 178.113 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.48 ' O ' ' HG ' ' A' ' 96' ' ' LEU . 50.7 mt-30 -68.1 -46.1 71.89 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.642 177.561 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.474 ' CE2' HD23 ' A' ' 33' ' ' LEU . 75.9 t80 -63.41 -38.24 90.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.751 -179.406 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.41 ' O ' ' HG3' ' A' ' 98' ' ' GLN . . . -57.71 -39.92 78.32 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.126 178.142 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.531 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 32.7 t -68.2 -38.05 81.57 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.34 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' A' ' 92' ' ' GLN . 65.5 mt -62.06 -43.03 99.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.81 -177.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.415 HG21 ' O ' ' A' ' 93' ' ' PHE . 38.9 t -64.22 -36.56 77.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.519 179.208 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.482 HE21 ' HA ' ' A' ' 95' ' ' SER . 50.4 mt-30 -65.37 -35.1 79.92 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.531 ' HG2' ' O ' ' A' ' 95' ' ' SER . 55.4 mm-40 -69.27 -42.36 75.66 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 178.373 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -64.16 -45.11 89.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.029 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.472 ' CD1' HG22 ' A' ' 15' ' ' ILE . 42.7 tp -59.82 -49.5 77.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.236 -178.763 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.665 ' HB3' HH21 ' A' ' 106' ' ' ARG . 7.6 mm-40 -64.92 -34.83 79.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.352 0.596 . . . . 0.0 110.711 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -66.08 -49.39 67.75 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.331 -0.849 . . . . 0.0 111.218 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.401 ' O ' HG21 ' A' ' 108' ' ' VAL . 10.1 mm-40 -67.34 -30.91 70.86 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.512 0.196 . . . . 0.0 110.8 -177.141 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.477 ' O ' ' HG3' ' A' ' 109' ' ' GLU . 54.8 mt-30 -61.27 -40.65 94.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.015 0.436 . . . . 0.0 110.171 175.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.665 HH21 ' HB3' ' A' ' 102' ' ' GLN . 21.3 mtm180 -72.12 -31.58 66.14 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.988 175.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.479 ' ND1' HG22 ' A' ' 70' ' ' ILE . 13.0 m170 -58.31 -46.84 85.39 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 174.071 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.401 HG21 ' O ' ' A' ' 104' ' ' GLU . 69.0 t -66.6 -37.77 80.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.127 178.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.477 ' HG3' ' O ' ' A' ' 105' ' ' GLN . 32.4 mt-10 -59.81 -45.99 90.61 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -178.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -65.48 -29.92 70.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.741 0.305 . . . . 0.0 111.012 -178.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 48.9 mm -76.93 -58.67 4.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.873 177.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 . . . . . 0 C--N 1.328 -0.342 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -176.575 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 56.3 mt . . . . . 0 C--O 1.233 0.224 0 CA-C-O 121.001 0.429 . . . . 0.0 110.525 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.458 HD23 HG21 ' A' ' 111' ' ' ILE . 44.8 mt -62.58 -30.13 71.1 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.427 -178.588 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -60.18 -34.61 73.83 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.359 -174.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.87 -46.63 65.1 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.681 -175.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -64.6 -38.27 90.44 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 178.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 76.6 mm-40 -64.24 -42.36 96.57 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.194 176.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.445 ' O ' HG13 ' A' ' 17' ' ' ILE . 58.2 tp60 -60.89 -44.99 96.35 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.86 179.29 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.599 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -58.26 -46.48 92.81 Favored Glycine 0 N--CA 1.453 -0.193 0 C-N-CA 120.619 -0.801 . . . . 0.0 111.894 178.368 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.401 ' HA ' HD12 ' A' ' 18' ' ' LEU . 75.1 mt -61.34 -38.85 80.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.016 0.436 . . . . 0.0 110.946 177.728 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.1 tttp -62.77 -42.1 99.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.729 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.445 HG13 ' O ' ' A' ' 13' ' ' GLN . 62.9 mt -67.42 -37.93 79.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.328 178.158 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.599 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 95.6 mt -57.49 -39.12 75.74 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.799 179.3 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -58.59 -45.42 89.14 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 120.933 0.397 . . . . 0.0 110.892 178.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -65.32 -41.67 93.74 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.542 -178.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.525 HG21 HD12 ' A' ' 40' ' ' ILE . 91.1 t -62.81 -39.61 85.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.147 -179.24 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.604 HD11 HD21 ' A' ' 101' ' ' LEU . 92.4 mt -55.39 -45.8 76.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.823 0.344 . . . . 0.0 110.997 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -66.76 -48.11 70.09 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.769 179.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.869 ' HE2' ' HA ' ' A' ' 24' ' ' LYS . 8.3 mmpt? -69.71 -38.03 76.79 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.319 -173.455 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.52 ' HA ' HD12 ' A' ' 33' ' ' LEU . . . -71.54 -35.32 70.61 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.748 0.309 . . . . 0.0 111.036 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.451 ' HE3' ' HB3' ' A' ' 26' ' ' LYS . 0.8 OUTLIER -71.82 -37.24 70.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.336 177.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -71.69 -46.44 58.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.033 177.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 117.92 29.01 2.1 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.399 -0.905 . . . . 0.0 113.194 177.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.458 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 4.2 m-20 -81.49 68.61 7.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.207 0.527 . . . . 0.0 110.058 174.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.514 ' HA ' HD11 ' A' ' 33' ' ' LEU . 30.7 mt-10 -63.04 -35.64 80.89 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.655 -174.321 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 56.8 tp60 -67.38 -38.13 84.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.132 0.492 . . . . 0.0 110.639 179.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -71.54 -36.31 70.95 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.072 177.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.52 HD12 ' HA ' ' A' ' 25' ' ' ALA . 48.0 mt -55.7 -35.46 66.09 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 115.608 -0.723 . . . . 0.0 111.79 -178.61 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.68 -43.08 94.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.898 0.38 . . . . 0.0 110.867 178.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -69.44 -49.09 58.31 Favored 'General case' 0 N--CA 1.442 -0.864 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.116 177.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.53 ' O ' HG13 ' A' ' 40' ' ' ILE . 98.6 mt -59.39 -44.59 92.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.266 -175.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -58.91 -46.28 88.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.879 -178.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -58.91 -44.46 91.24 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.405 -179.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -67.56 -31.39 71.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.54 -176.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.53 HG13 ' O ' ' A' ' 36' ' ' LEU . 75.2 mt -58.39 -49.89 80.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.981 0.42 . . . . 0.0 110.128 175.221 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.66 HG12 HG23 ' A' ' 78' ' ' ILE . 61.9 t -58.15 -45.68 88.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.948 -179.332 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -63.56 -44.88 92.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.471 -179.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.52 -47.06 65.02 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -175.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -64.85 -45.05 87.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.684 0.278 . . . . 0.0 111.05 -177.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.481 ' O ' HG12 ' A' ' 48' ' ' VAL . 56.9 tttt -69.87 -30.41 67.86 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.945 -176.339 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 46.4 tp60 -60.79 -45.38 94.59 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 173.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -69.27 -43.24 71.79 Favored Glycine 0 N--CA 1.448 -0.513 0 CA-C-N 115.4 -0.818 . . . . 0.0 113.043 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.481 HG12 ' O ' ' A' ' 45' ' ' LYS . 2.2 p -59.97 -37.1 70.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.119 0.485 . . . . 0.0 109.882 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.749 ' HA ' ' HE3' ' A' ' 49' ' ' LYS . 0.4 OUTLIER -59.56 -50.25 74.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.652 178.618 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.9 m -69.57 -32.45 52.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.825 -0.35 . . . . 0.0 111.518 -179.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.488 ' HB3' HD21 ' A' ' 71' ' ' LEU . 21.8 m-85 -65.27 -38.75 91.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.822 0.344 . . . . 0.0 110.287 173.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.576 ' HG3' HD23 ' A' ' 71' ' ' LEU . 95.2 mttt -66.97 -33.27 75.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.331 179.01 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -67.78 -42.63 81.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.142 0.496 . . . . 0.0 109.788 174.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.36 -32.85 74.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.832 178.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.24 -32.73 73.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.197 178.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -75.85 -15.77 60.17 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.074 0.464 . . . . 0.0 110.375 178.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.453 ' HG2' ' O ' ' A' ' 57' ' ' LYS . 49.0 tttm -112.77 17.69 18.84 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.706 0.765 . . . . 0.0 109.394 -178.297 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.448 ' O ' ' HB2' ' A' ' 59' ' ' ARG . . . -73.98 -26.73 60.62 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.742 -174.72 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.448 ' HB2' ' O ' ' A' ' 58' ' ' ALA . 24.0 mmt180 70.4 -62.2 0.44 Allowed 'General case' 0 N--CA 1.469 0.496 0 O-C-N 123.745 0.653 . . . . 0.0 111.219 -178.484 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.416 ' OD1' ' HB2' ' A' ' 62' ' ' GLU . 28.2 t-20 -91.09 125.2 59.42 Favored Pre-proline 0 C--N 1.32 -0.693 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.353 -179.225 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_endo -59.91 -33.17 95.94 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 123.325 2.683 . . . . 0.0 113.079 -175.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.416 ' HB2' ' OD1' ' A' ' 60' ' ' ASN . 43.1 mt-10 -67.79 -30.47 69.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.726 -0.215 . . . . 0.0 111.223 -177.483 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt -75.0 -34.27 61.94 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 176.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 23.1 ttt180 -69.01 -34.63 75.58 Favored 'General case' 0 C--O 1.22 -0.492 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.874 175.104 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -55.67 -44.12 76.98 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 120.905 0.383 . . . . 0.0 111.046 177.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.722 HG12 ' HG3' ' A' ' 110' ' ' GLU . 97.1 t -60.91 -52.09 65.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.768 178.144 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.567 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 55.8 mt -66.07 -44.4 91.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.045 -178.083 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.442 ' HA ' HD11 ' A' ' 71' ' ' LEU . 31.7 t70 -59.73 -36.92 77.57 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 122.896 0.479 . . . . 0.0 111.753 -176.437 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.411 ' O ' ' HD3' ' A' ' 69' ' ' LYS . 9.2 tmtt? -59.13 -45.05 91.94 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 177.585 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.456 HG23 ' ND1' ' A' ' 107' ' ' HIS . 43.9 mt -71.75 -37.88 64.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.987 176.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.576 HD23 ' HG3' ' A' ' 52' ' ' LYS . 71.8 mt -55.64 -49.62 72.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.158 0.504 . . . . 0.0 110.958 176.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -69.3 -35.75 76.32 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.101 179.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.488 ' HB3' ' CE1' ' A' ' 107' ' ' HIS . 0.5 OUTLIER -63.44 -50.19 70.75 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.999 179.281 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.421 ' O ' HG13 ' A' ' 78' ' ' ILE . 3.3 tp10 -63.08 -35.96 81.99 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.071 -0.968 . . . . 0.0 109.827 -175.484 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.58 -34.86 77.83 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.253 0.549 . . . . 0.0 110.424 174.674 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 25.1 tptp -67.52 -31.6 71.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.137 178.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.427 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 43.7 m170 -70.99 -48.1 55.11 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.573 0.701 . . . . 0.0 109.954 177.238 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.66 HG23 HG12 ' A' ' 41' ' ' VAL . 93.1 mt -62.11 -42.42 95.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 114.75 -1.114 . . . . 0.0 112.282 -173.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' A' ' 80' ' ' TRP . 4.5 pt-20 -56.8 -35.54 68.86 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.944 0.402 . . . . 0.0 110.747 179.057 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.507 ' CZ2' HD12 ' A' ' 96' ' ' LEU . 15.5 t-105 -71.44 -58.28 3.66 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.732 179.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 49.1 m-70 -59.61 -40.5 87.72 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -175.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -64.56 -41.23 96.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.73 0.3 . . . . 0.0 110.668 -178.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.94 -33.47 68.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.049 0.452 . . . . 0.0 111.128 178.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 115.702 -0.681 . . . . 0.0 112.701 -176.04 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.309 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' A' ' 92' ' ' GLN . 13.7 pt-20 -64.11 -44.89 90.88 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -170.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.406 ' N ' ' HG3' ' A' ' 91' ' ' GLU . 19.0 pt20 -68.09 -34.36 76.26 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.113 0.482 . . . . 0.0 110.027 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.42 ' O ' HG23 ' A' ' 97' ' ' VAL . 86.4 t80 -66.11 -46.54 77.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.99 177.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.444 ' HB1' ' HB2' ' A' ' 25' ' ' ALA . . . -58.32 -42.46 86.81 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.351 178.74 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 50.0 m -60.75 -40.6 93.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.104 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.507 HD12 ' CZ2' ' A' ' 80' ' ' TRP . 73.5 mt -72.26 -33.24 67.35 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.167 -178.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 93' ' ' PHE . 98.5 t -71.72 -35.62 56.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.154 0.502 . . . . 0.0 110.486 175.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.39 -44.02 84.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.163 179.439 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -66.89 -34.1 77.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.802 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.427 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 6.7 t-160 -60.24 -43.87 95.72 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 175.17 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.604 HD21 HD11 ' A' ' 22' ' ' LEU . 40.3 tp -60.19 -45.58 92.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.967 179.119 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -61.51 -39.92 92.73 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-O 121.151 0.501 . . . . 0.0 110.575 178.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -59.97 -48.78 80.29 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.475 179.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -64.57 -20.3 66.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.28 -176.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.45 ' HG3' ' O ' ' A' ' 101' ' ' LEU . 77.8 mt-30 -63.15 -38.53 91.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.96 0.409 . . . . 0.0 109.94 176.746 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 25.0 mmt180 -70.07 -33.19 71.6 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.157 175.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.488 ' CE1' ' HB3' ' A' ' 73' ' ' ASP . 14.3 m170 -60.44 -50.21 74.49 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.022 177.543 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 58.1 t -63.09 -40.8 90.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.442 -178.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -58.0 -48.67 79.34 Favored 'General case' 0 CA--C 1.519 -0.213 0 N-CA-C 111.627 0.232 . . . . 0.0 111.627 -178.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.722 ' HG3' HG12 ' A' ' 66' ' ' VAL . 14.5 tp10 -70.53 -33.45 71.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.887 0.375 . . . . 0.0 110.313 -176.205 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.473 HG12 ' O ' ' A' ' 107' ' ' HIS . 28.7 mm -56.92 -48.86 80.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.074 173.304 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.895 -176.835 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.417 ' HB3' ' HE1' ' A' ' 51' ' ' TYR . 6.9 mp . . . . . 0 N--CA 1.464 0.235 0 CA-C-O 120.611 0.243 . . . . 0.0 111.141 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.55 ' O ' ' HG2' ' A' ' 12' ' ' GLN . 55.3 mt -64.8 -33.82 76.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.932 -179.623 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 53.0 tttp -59.03 -38.2 78.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.535 -173.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.18 -46.32 74.33 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 111.548 0.203 . . . . 0.0 111.548 -177.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -64.37 -37.71 88.47 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 121.007 0.432 . . . . 0.0 109.946 178.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.55 ' HG2' ' O ' ' A' ' 8' ' ' LEU . 85.3 mm-40 -66.28 -43.36 86.63 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.8 176.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.44 ' O ' HG13 ' A' ' 17' ' ' ILE . 8.4 mm-40 -62.34 -41.32 98.47 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.505 -179.432 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.591 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -58.66 -46.38 93.41 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.699 -0.763 . . . . 0.0 111.987 179.334 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.447 ' HA ' HD13 ' A' ' 18' ' ' LEU . 68.2 mt -61.27 -42.1 92.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.818 0.342 . . . . 0.0 110.779 178.366 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.743 ' HA ' ' HE2' ' A' ' 19' ' ' LYS . 80.1 tttt -58.25 -47.44 83.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.666 178.597 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.557 ' O ' HG22 ' A' ' 21' ' ' VAL . 70.5 mt -63.47 -39.46 85.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.443 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.591 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 95.7 mt -56.75 -39.49 74.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.289 -178.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.743 ' HE2' ' HA ' ' A' ' 16' ' ' LYS . 42.9 mtmt -61.15 -45.86 92.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.28 0.562 . . . . 0.0 110.591 179.409 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.02 -32.18 63.26 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.621 -177.539 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.566 HG21 HD12 ' A' ' 40' ' ' ILE . 64.9 t -59.85 -49.77 82.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.795 -0.184 . . . . 0.0 111.181 177.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 19' ' ' LYS . 4.3 pp -66.69 -34.25 77.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.335 0.588 . . . . 0.0 109.783 177.076 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.17 -47.65 85.21 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.422 178.726 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 32.9 tptt -78.12 -22.33 49.03 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.872 -175.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.512 ' HA ' HD13 ' A' ' 33' ' ' LEU . . . -64.64 -36.01 82.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.49 177.099 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -71.83 -27.43 62.9 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.452 177.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -74.04 -43.17 58.81 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.073 176.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.8 37.68 5.16 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.687 -0.768 . . . . 0.0 114.337 169.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -97.19 106.26 18.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 117.526 0.663 . . . . 0.0 109.476 172.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -66.93 -38.74 86.73 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.487 -175.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -63.64 -44.17 94.65 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 120.807 0.337 . . . . 0.0 110.642 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.492 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 7.6 tp10 -64.35 -47.21 80.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.889 176.626 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.512 HD13 ' HA ' ' A' ' 25' ' ' ALA . 25.5 mt -56.82 -40.77 76.61 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.821 -179.633 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.18 -45.5 91.48 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.757 0.313 . . . . 0.0 110.981 178.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 13.5 ttp180 -66.37 -41.66 89.12 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.063 178.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.532 ' HB3' HG23 ' A' ' 21' ' ' VAL . 97.7 mt -59.87 -45.45 92.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.789 0.328 . . . . 0.0 110.605 178.314 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -59.82 -42.87 94.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.271 178.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 64.8 mm-40 -66.67 -36.84 83.49 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.378 177.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -67.04 -37.59 84.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.737 -178.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.566 HD12 HG21 ' A' ' 21' ' ' VAL . 74.9 mt -56.94 -47.04 83.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.248 176.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 94.7 t -54.07 -48.18 65.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.889 179.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.417 ' HD3' ' HA ' ' A' ' 42' ' ' LYS . 51.2 mmtt -63.29 -45.67 90.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.767 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.03 -46.77 86.0 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.395 -177.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.5 ' O ' HG22 ' A' ' 48' ' ' VAL . 4.8 mt-10 -71.21 -35.74 71.63 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.416 -178.284 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.512 ' HZ1' ' CD ' ' A' ' 75' ' ' GLU . 18.2 mmtm -59.23 -41.24 88.2 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 120.777 0.323 . . . . 0.0 111.333 176.24 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 47.1 tp60 -63.2 -40.65 98.11 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.43 -41.58 97.97 Favored Glycine 0 N--CA 1.451 -0.367 0 CA-C-N 115.716 -0.674 . . . . 0.0 112.057 177.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.5 HG22 ' O ' ' A' ' 44' ' ' GLU . 92.6 t -58.3 -47.45 87.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.555 0.217 . . . . 0.0 111.183 178.181 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 74.3 tttt -63.06 -45.67 91.07 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.71 -0.223 . . . . 0.0 111.574 -176.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 33.8 m -69.72 -30.59 45.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 120.72 0.295 . . . . 0.0 110.996 -179.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.417 ' HE1' ' HB3' ' A' ' 7' ' ' LEU . 5.5 m-30 -68.06 -39.95 82.89 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 174.665 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.44 ' CG ' HD13 ' A' ' 71' ' ' LEU . 25.7 mtpp -60.71 -38.85 86.45 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.034 176.239 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -57.11 -47.42 81.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.582 177.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.05 -38.67 66.4 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.771 179.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.91 -47.97 70.11 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -176.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -75.41 -7.51 54.26 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.932 0.396 . . . . 0.0 111.494 -179.273 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -120.44 20.75 11.83 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.506 178.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -79.62 130.41 35.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.265 0.555 . . . . 0.0 112.113 -173.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 60.4 ttt180 -93.92 -31.27 14.36 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.459 175.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -99.07 116.65 65.08 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.327 -179.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -68.15 -32.89 26.32 Favored 'Trans proline' 0 C--O 1.234 0.318 0 C-N-CA 122.954 2.436 . . . . 0.0 112.913 -176.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -64.24 -45.37 88.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.88 -175.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -75.81 -31.51 59.44 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.767 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -64.87 -36.82 85.58 Favored 'General case' 0 C--O 1.221 -0.429 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 179.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.78 -44.9 90.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.867 0.365 . . . . 0.0 110.234 177.235 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 54.3 t -62.98 -50.07 81.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.485 178.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 80.8 mt -61.32 -44.9 99.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.808 179.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -56.07 -48.94 75.11 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 123.046 0.538 . . . . 0.0 111.292 -176.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.499 ' HA ' ' HE3' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -67.82 -44.6 76.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.814 -178.582 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.458 HG23 ' ND1' ' A' ' 107' ' ' HIS . 31.4 mt -68.66 -38.39 78.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.677 0.275 . . . . 0.0 111.059 -179.704 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.44 HD13 ' CG ' ' A' ' 52' ' ' LYS . 6.7 tt -56.29 -49.08 75.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.454 0.645 . . . . 0.0 109.625 174.017 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -64.37 -39.03 93.08 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.989 -179.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.452 ' HB3' ' HE1' ' A' ' 107' ' ' HIS . 0.8 OUTLIER -66.47 -44.21 83.33 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.422 178.487 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -60.93 -38.63 86.49 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.109 -0.951 . . . . 0.0 110.619 -175.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.512 ' CD ' ' HZ1' ' A' ' 45' ' ' LYS . 4.7 tp10 -69.9 -35.0 74.26 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-O 121.291 0.567 . . . . 0.0 110.173 175.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -63.95 -33.31 75.44 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.398 178.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.41 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 62.5 m170 -60.16 -48.33 82.18 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.304 0.573 . . . . 0.0 110.376 176.137 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.5 HD12 ' HG2' ' A' ' 45' ' ' LYS . 73.7 mt -64.26 -42.24 94.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.663 -177.345 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -57.7 -40.37 79.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.552 175.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 25.2 t-105 -67.2 -51.12 57.3 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -56.04 -40.08 72.96 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 120.757 0.313 . . . . 0.0 111.188 178.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 26.2 ttmt -63.08 -48.19 79.69 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.801 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.08 -29.91 65.89 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.709 -176.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.41 0 CA-C-O 120.918 0.39 . . . . 0.0 111.326 -178.861 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.236 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -69.82 -48.98 56.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.861 0.362 . . . . 0.0 110.938 -173.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.431 ' O ' ' HG ' ' A' ' 96' ' ' LEU . 25.6 mt-30 -69.49 -35.62 75.74 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.308 0.575 . . . . 0.0 110.087 177.586 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.492 ' O ' HG21 ' A' ' 97' ' ' VAL . 55.4 t80 -62.69 -45.52 92.4 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.024 -0.989 . . . . 0.0 111.169 -177.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.15 -36.96 83.4 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.8 0.333 . . . . 0.0 110.942 179.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 17.6 m -64.4 -35.83 82.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.733 178.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 92' ' ' GLN . 94.2 mt -68.66 -35.78 77.69 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.594 178.432 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.492 HG21 ' O ' ' A' ' 93' ' ' PHE . 57.4 t -62.7 -38.53 81.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.018 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -60.19 -38.15 82.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.816 0.341 . . . . 0.0 111.006 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -70.27 -42.39 72.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.421 -179.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.417 ' O ' ' HG2' ' A' ' 104' ' ' GLU . 4.3 t-160 -63.27 -43.43 97.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.787 178.368 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.462 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 44.3 tp -61.53 -48.12 82.46 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.319 -178.512 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -60.27 -41.16 92.69 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-O 121.288 0.566 . . . . 0.0 110.416 178.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -61.1 -49.13 78.55 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.301 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.417 ' HG2' ' O ' ' A' ' 100' ' ' HIS . 18.4 mm-40 -65.99 -26.84 67.73 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.205 -177.064 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.462 ' HG3' ' O ' ' A' ' 101' ' ' LEU . 78.3 mt-30 -60.88 -46.64 89.81 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 175.123 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 31.3 mmm180 -66.8 -31.81 72.68 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.268 178.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.485 ' O ' HG12 ' A' ' 111' ' ' ILE . 10.7 m170 -59.33 -50.87 72.34 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.975 0.417 . . . . 0.0 110.128 175.245 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 95.5 t -67.79 -43.33 86.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.393 -178.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.455 ' HG3' ' O ' ' A' ' 105' ' ' GLN . 46.2 mt-10 -58.85 -35.63 73.24 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 120.799 0.333 . . . . 0.0 110.974 179.08 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 19.8 tp10 -71.71 -45.03 63.11 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.708 178.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.485 HG12 ' O ' ' A' ' 107' ' ' HIS . 33.4 mm -62.28 -60.67 2.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-O 121.04 0.448 . . . . 0.0 111.067 179.65 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 . . . . . 0 N--CA 1.444 -0.753 0 CA-C-O 121.475 0.655 . . . . 0.0 110.686 -170.466 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 22.3 mt . . . . . 0 CA--C 1.529 0.17 0 CA-C-O 120.677 0.275 . . . . 0.0 111.518 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 80.2 mt -63.57 -30.87 71.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.03 0.443 . . . . 0.0 111.477 -176.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -60.91 -33.49 73.21 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.847 -176.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.06 -46.43 87.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.772 -0.195 . . . . 0.0 111.482 -178.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -66.2 -37.28 85.21 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.791 0.329 . . . . 0.0 110.219 177.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 78.2 mm-40 -61.75 -43.09 99.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.342 175.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -62.73 -43.12 99.62 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.184 178.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.555 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -59.89 -47.64 90.01 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.557 -0.83 . . . . 0.0 111.992 179.201 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 76.5 mt -64.47 -41.35 92.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.143 0.496 . . . . 0.0 110.074 178.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.401 ' HA ' ' HD3' ' A' ' 19' ' ' LYS . 87.9 tttt -57.13 -45.71 83.28 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.145 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.457 ' O ' HG21 ' A' ' 21' ' ' VAL . 67.2 mt -69.51 -40.29 79.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.789 178.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 95.2 mt -58.2 -42.47 86.22 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 120.911 0.386 . . . . 0.0 110.58 177.106 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.401 ' HD3' ' HA ' ' A' ' 16' ' ' LYS . 53.8 mtpt -56.72 -36.94 70.29 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.174 175.103 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -69.91 -39.99 75.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.394 177.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.457 HG21 ' O ' ' A' ' 17' ' ' ILE . 60.0 t -60.45 -39.77 82.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.121 177.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 95.9 mt -55.94 -41.94 75.42 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 177.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.7 mmmt -72.22 -46.78 54.7 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.093 179.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.562 ' HG2' ' HG2' ' A' ' 32' ' ' GLU . 1.6 mptm? -72.48 -18.2 61.69 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -175.38 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.62 98.42 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.831 0.348 . . . . 0.0 110.575 176.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -72.07 -19.67 61.78 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.782 -179.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.454 ' CG ' ' HA ' ' A' ' 24' ' ' LYS . 33.1 mm-40 -62.07 -26.59 68.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.969 0.414 . . . . 0.0 110.453 177.42 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 74.75 30.71 59.32 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.961 -0.637 . . . . 0.0 112.447 178.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.404 ' OD2' ' HB3' ' A' ' 31' ' ' GLN . 22.9 t70 -121.92 120.66 35.12 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.066 0.46 . . . . 0.0 110.592 -179.408 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -87.26 -18.53 30.01 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.72 -175.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.404 ' HB3' ' OD2' ' A' ' 29' ' ' ASP . 7.8 tt0 -63.08 -47.74 81.62 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.029 176.082 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.562 ' HG2' ' HG2' ' A' ' 24' ' ' LYS . 3.9 tp10 -65.17 -42.66 93.46 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.44 175.249 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 76.4 mt -56.75 -44.03 81.34 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.118 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.74 -44.82 96.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.657 178.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -59.6 -49.94 75.79 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.087 177.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.544 ' O ' HG13 ' A' ' 40' ' ' ILE . 88.4 mt -63.01 -44.32 96.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.726 -179.084 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.452 ' HA ' HD11 ' A' ' 40' ' ' ILE . 6.6 t30 -57.96 -40.56 80.87 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.715 -179.073 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -68.74 -39.57 80.27 Favored 'General case' 0 N--CA 1.437 -1.122 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.057 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -66.8 -32.23 73.38 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.648 -0.251 . . . . 0.0 110.788 178.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.544 HG13 ' O ' ' A' ' 36' ' ' LEU . 87.9 mt -57.79 -49.64 80.24 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.121 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 173.475 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.478 HG22 HG22 ' A' ' 78' ' ' ILE . 95.4 t -56.52 -46.55 82.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.872 177.074 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -62.54 -44.45 96.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.271 -179.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.73 -47.19 63.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.4 -177.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.47 ' O ' HG21 ' A' ' 48' ' ' VAL . 42.7 mt-10 -66.33 -41.32 89.8 Favored 'General case' 0 C--O 1.223 -0.327 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.906 -177.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.537 ' HA ' ' HB ' ' A' ' 48' ' ' VAL . 49.6 mttt -69.72 -28.57 65.93 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 178.656 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 22.2 tp60 -59.39 -42.28 91.35 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 170.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -68.83 -45.62 63.77 Favored Glycine 0 N--CA 1.45 -0.432 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.967 173.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.537 ' HB ' ' HA ' ' A' ' 45' ' ' LYS . 69.1 t -54.18 -38.26 38.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.506 0.193 . . . . 0.0 110.827 177.308 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 49.4 tptt -56.93 -52.4 65.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.024 -179.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 16.9 m -72.51 -35.33 50.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.959 -178.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -72.12 -37.35 69.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.767 -0.197 . . . . 0.0 111.513 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.453 ' HE2' HD13 ' A' ' 71' ' ' LEU . 33.4 ttmt -65.85 -32.52 74.09 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.162 0.506 . . . . 0.0 110.033 178.178 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.84 -44.53 76.97 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.594 173.466 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.01 -32.53 69.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.143 -0.935 . . . . 0.0 112.442 -176.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.414 ' O ' ' HG2' ' A' ' 64' ' ' ARG . . . -58.1 -37.73 75.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.088 0.47 . . . . 0.0 111.856 -177.44 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -91.31 8.88 33.84 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.451 -178.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -144.95 26.5 1.36 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.611 0.72 . . . . 0.0 109.914 -174.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.96 -13.76 59.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.43 -0.805 . . . . 0.0 112.381 -174.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 54.8 mmm-85 71.58 -63.26 0.43 Allowed 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.196 0.598 . . . . 0.0 111.509 178.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -88.24 141.5 30.96 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.952 -178.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_endo -58.94 -36.0 97.62 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.828 2.352 . . . . 0.0 112.433 178.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.2 tt0 -64.4 -44.78 90.2 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-O 120.848 0.356 . . . . 0.0 110.296 179.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -62.76 -42.85 99.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.828 178.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.447 ' NH1' ' HB2' ' A' ' 68' ' ' ASP . 0.1 OUTLIER -60.68 -41.65 95.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.512 -178.515 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.69 -45.43 65.01 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.328 -179.681 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 79.7 t -62.06 -48.19 89.64 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-O 120.825 0.345 . . . . 0.0 110.927 -178.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 78.7 mt -61.8 -40.75 88.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.551 179.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.447 ' HB2' ' NH1' ' A' ' 64' ' ' ARG . 24.1 t70 -63.08 -45.08 93.8 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.792 0.33 . . . . 0.0 111.059 -178.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 50.5 tttp -58.76 -46.54 87.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.748 -179.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.419 HG23 ' ND1' ' A' ' 107' ' ' HIS . 22.9 mt -72.77 -38.61 58.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.311 179.422 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.453 HD13 ' HE2' ' A' ' 52' ' ' LYS . 2.1 tm? -58.92 -48.64 80.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.878 0.371 . . . . 0.0 110.179 179.309 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -65.02 -36.69 85.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.255 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.442 ' O ' ' HB3' ' A' ' 76' ' ' LYS . 0.9 OUTLIER -70.92 -41.51 71.1 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.482 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -63.97 -41.61 97.5 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.19 -177.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -66.86 -34.55 78.05 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 121.362 0.601 . . . . 0.0 109.682 175.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.442 ' HB3' ' O ' ' A' ' 73' ' ' ASP . 31.9 ttmt -63.5 -40.31 96.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.756 177.416 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.5 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 56.3 m170 -61.07 -47.73 85.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.614 0.721 . . . . 0.0 109.764 177.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.505 ' CD1' ' HG3' ' A' ' 45' ' ' LYS . 76.7 mt -64.21 -44.76 97.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 114.786 -1.097 . . . . 0.0 112.062 -175.525 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.424 ' HG2' ' HA ' ' A' ' 76' ' ' LYS . 4.6 pt-20 -64.01 -32.02 73.42 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.21 178.207 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 22.7 t-105 -68.18 -54.12 20.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.082 177.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 37.1 m-70 -60.27 -39.13 85.75 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.232 -0.44 . . . . 0.0 112.041 178.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 51.6 tptt -60.63 -42.93 97.87 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.675 0.274 . . . . 0.0 110.764 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.01 -43.03 79.76 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.237 -178.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.506 -177.622 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.389 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -68.77 -47.81 65.27 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 -167.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.434 ' O ' ' HG ' ' A' ' 96' ' ' LEU . 2.0 mp0 -67.86 -33.75 75.37 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.984 0.421 . . . . 0.0 110.085 -178.495 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.456 ' O ' HG21 ' A' ' 97' ' ' VAL . 72.6 t80 -55.7 -38.36 69.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.786 175.196 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.77 -38.56 88.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.9 178.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 35.6 m -68.47 -33.23 73.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.452 177.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.446 HD12 ' HA ' ' A' ' 93' ' ' PHE . 85.3 mt -65.42 -34.24 77.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.545 178.551 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.456 HG21 ' O ' ' A' ' 93' ' ' PHE . 49.2 t -64.78 -37.07 79.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.322 177.537 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -62.49 -38.36 89.6 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 176.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -63.92 -41.82 97.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.948 0.404 . . . . 0.0 110.201 177.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.5 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 4.3 t-160 -65.47 -42.97 91.67 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.903 179.503 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.472 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 0.2 OUTLIER -58.31 -46.83 85.41 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.931 178.719 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -68.13 -35.6 78.36 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.895 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -65.96 -47.38 74.78 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.994 -177.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.421 ' O ' HG22 ' A' ' 108' ' ' VAL . 40.9 mm-40 -64.62 -24.48 67.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.608 0.242 . . . . 0.0 110.796 -177.371 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.472 ' HG3' ' O ' ' A' ' 101' ' ' LEU . 77.9 mt-30 -64.17 -37.24 86.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.972 0.415 . . . . 0.0 109.945 175.225 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 4.4 tpm_? -66.71 -38.69 87.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.396 174.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.601 ' O ' HG13 ' A' ' 111' ' ' ILE . 17.0 m170 -60.22 -49.87 75.9 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.129 177.003 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.421 HG22 ' O ' ' A' ' 104' ' ' GLU . 76.0 t -59.57 -43.18 90.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.56 -179.368 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -63.1 -34.04 76.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.788 0.328 . . . . 0.0 111.284 178.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.74 -34.17 73.45 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.879 177.423 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.601 HG13 ' O ' ' A' ' 107' ' ' HIS . 44.5 mt -81.23 -60.32 2.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.512 -177.506 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 . . . . . 0 C--N 1.332 -0.172 0 CA-C-O 121.62 0.724 . . . . 0.0 110.741 -175.614 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.544 ' HB3' ' HE1' ' A' ' 51' ' ' TYR . 72.7 mt . . . . . 0 C--O 1.231 0.085 0 N-CA-C 111.651 0.241 . . . . 0.0 111.651 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 95.8 mt -62.66 -31.59 72.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.817 0.342 . . . . 0.0 111.595 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -61.1 -34.44 74.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.577 -177.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.78 -47.11 85.85 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.871 0.323 . . . . 0.0 111.871 -176.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.431 ' O ' HG13 ' A' ' 15' ' ' ILE . 6.0 tp10 -68.98 -41.51 77.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.948 0.404 . . . . 0.0 110.001 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -60.01 -42.99 95.51 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.232 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 57.1 tp60 -61.19 -43.67 98.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.62 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.486 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -59.91 -46.0 94.88 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.872 -0.68 . . . . 0.0 111.918 178.017 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.498 ' HA ' HD12 ' A' ' 18' ' ' LEU . 67.8 mt -62.25 -39.39 83.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.862 0.363 . . . . 0.0 110.888 179.308 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? -61.17 -46.21 91.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.073 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 64.4 mt -64.68 -37.6 80.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.75 179.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.528 ' HB3' HD21 ' A' ' 101' ' ' LEU . 95.7 mt -57.87 -37.6 74.22 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.123 177.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -62.99 -36.39 83.36 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.092 179.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -72.27 -35.08 68.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.166 0.507 . . . . 0.0 109.938 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.569 HG21 HD12 ' A' ' 40' ' ' ILE . 99.4 t -63.1 -39.6 85.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.917 178.064 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 95.9 mt -55.73 -35.66 66.38 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.824 177.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -71.16 -47.49 57.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.501 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 64.2 mmtt -69.04 -28.63 66.72 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.823 -177.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.88 -40.81 95.7 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.004 0.431 . . . . 0.0 110.612 177.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -72.78 -25.8 61.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.661 177.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -70.33 -42.62 71.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.962 0.41 . . . . 0.0 110.018 173.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.49 33.35 9.38 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.933 -0.651 . . . . 0.0 113.041 174.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.433 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 11.6 t70 -103.01 100.51 10.45 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 175.067 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -70.59 -20.72 62.74 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.444 -174.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -70.33 -48.56 55.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.079 0.466 . . . . 0.0 109.941 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.428 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 48.7 mt-10 -67.49 -38.37 84.25 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.387 176.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 75.2 mt -58.53 -44.1 89.45 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.264 178.442 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.05 -41.72 98.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.868 178.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 63.9 ttt180 -67.03 -38.55 86.11 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 120.7 0.286 . . . . 0.0 110.65 177.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.545 ' O ' HG13 ' A' ' 40' ' ' ILE . 87.5 mt -61.83 -40.32 94.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.249 176.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.523 ' O ' HG21 ' A' ' 41' ' ' VAL . 81.9 m-20 -55.74 -46.99 77.68 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.29 175.542 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -58.69 -44.74 90.38 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.127 176.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 27.6 tp10 -63.85 -38.96 93.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.312 -178.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.569 HD12 HG21 ' A' ' 21' ' ' VAL . 85.9 mt -61.99 -49.12 85.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.368 176.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.557 HG22 HG23 ' A' ' 78' ' ' ILE . 93.4 t -53.78 -45.0 61.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.968 178.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.471 ' HE2' ' O ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -61.89 -43.26 99.22 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.477 179.645 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.67 -46.91 65.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.664 -177.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.43 ' O ' HG21 ' A' ' 48' ' ' VAL . 43.1 mt-10 -68.06 -40.39 82.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.148 -177.282 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.477 ' HG3' HD11 ' A' ' 78' ' ' ILE . 50.8 mttm -62.59 -30.16 71.13 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 116.76 -0.2 . . . . 0.0 111.482 178.177 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 58.3 tp60 -59.29 -43.0 92.59 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 176.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -69.66 -47.03 51.55 Favored Glycine 0 N--CA 1.448 -0.552 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.939 175.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.455 HG12 ' HG2' ' A' ' 75' ' ' GLU . 96.4 t -56.47 -42.56 75.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.68 0.276 . . . . 0.0 111.44 -179.142 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.7 tmtt? -61.53 -50.63 71.92 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.945 -177.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 19.4 m -69.66 -31.02 47.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.992 -178.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.544 ' HE1' ' HB3' ' A' ' 7' ' ' LEU . 21.0 m-30 -70.16 -44.22 69.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.358 177.205 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.679 ' HG3' HD23 ' A' ' 71' ' ' LEU . 51.0 mttm -61.61 -40.44 94.83 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.311 179.632 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -67.06 -44.94 78.85 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.465 -178.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.07 -32.44 65.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.363 -178.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.39 -42.37 73.93 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 112.462 0.542 . . . . 0.0 112.462 -173.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -71.49 -19.81 62.15 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.677 0.275 . . . . 0.0 111.357 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 49.6 mttp -106.41 17.39 23.45 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.811 0.339 . . . . 0.0 111.515 -177.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -74.0 130.02 39.03 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.214 176.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.7 mpt_? -88.73 23.52 2.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.902 0.382 . . . . 0.0 110.943 -177.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.522 ' HB3' ' HB2' ' A' ' 63' ' ' LYS . 34.1 t-20 -161.72 124.8 1.83 Allowed Pre-proline 0 C--N 1.322 -0.598 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 -178.048 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.448 ' O ' ' HG2' ' A' ' 65' ' ' GLN . 17.4 Cg_endo -57.49 -47.78 20.26 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.892 2.395 . . . . 0.0 112.787 -176.738 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.405 ' O ' HG22 ' A' ' 66' ' ' VAL . 30.5 mt-10 -67.49 -34.72 77.73 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 121.024 -0.27 . . . . 0.0 110.496 -179.66 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.522 ' HB2' ' HB3' ' A' ' 60' ' ' ASN . 29.2 mmtp -59.08 -39.62 82.7 Favored 'General case' 0 CA--C 1.518 -0.261 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 175.193 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 21.2 ttt180 -68.39 -49.58 59.08 Favored 'General case' 0 C--O 1.219 -0.524 0 C-N-CA 120.451 -0.5 . . . . 0.0 110.287 175.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.932 HE21 ' HA ' ' A' ' 65' ' ' GLN . 0.0 OUTLIER -59.38 -36.82 76.48 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -172.883 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.405 HG22 ' O ' ' A' ' 62' ' ' GLU . 62.5 t -59.32 -50.45 79.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.025 0.44 . . . . 0.0 110.214 176.4 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 66.8 mt -69.94 -43.19 79.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.773 178.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.422 ' O ' ' HG2' ' A' ' 72' ' ' GLU . 16.9 t70 -57.07 -45.66 83.09 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 123.348 0.659 . . . . 0.0 111.805 -174.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -59.27 -46.08 89.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.318 0.58 . . . . 0.0 110.514 -179.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.581 HG22 ' ND1' ' A' ' 107' ' ' HIS . 65.4 mt -71.76 -37.8 63.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.909 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.679 HD23 ' HG3' ' A' ' 52' ' ' LYS . 5.2 tt -56.8 -51.87 67.28 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.447 178.098 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' A' ' 68' ' ' ASP . 4.8 mm-40 -69.25 -35.06 75.71 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.915 -178.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.474 ' HB3' ' HE1' ' A' ' 107' ' ' HIS . 0.6 OUTLIER -61.41 -40.28 93.81 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.762 176.096 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -67.66 -41.42 83.81 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.554 -175.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.62 ' HA ' ' OE1' ' A' ' 75' ' ' GLU . 1.3 mm-40 -65.13 -34.68 78.98 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.159 0.505 . . . . 0.0 110.173 172.81 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.425 ' HB3' ' O ' ' A' ' 73' ' ' ASP . 59.5 tttm -61.89 -37.11 83.35 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.63 176.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.502 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 62.9 m170 -61.91 -44.65 96.35 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 121.442 0.639 . . . . 0.0 110.333 177.412 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.557 HG23 HG22 ' A' ' 41' ' ' VAL . 94.3 mt -63.9 -41.99 94.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.043 -0.98 . . . . 0.0 110.988 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -60.71 -37.57 82.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.868 0.366 . . . . 0.0 110.294 173.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.48 ' HB3' ' O ' ' A' ' 77' ' ' HIS . 29.6 t-105 -61.59 -56.98 14.07 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.91 178.214 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 25.1 m-70 -61.16 -40.24 93.11 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -178.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp -65.41 -40.3 93.21 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.757 0.313 . . . . 0.0 111.029 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.17 -31.98 68.34 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.879 0.371 . . . . 0.0 110.876 178.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.767 -179.107 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -69.38 -43.94 72.49 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 120.672 0.272 . . . . 0.0 110.774 -178.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.563 ' O ' ' HG ' ' A' ' 96' ' ' LEU . 31.6 mm-40 -63.32 -44.26 95.47 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 177.347 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.521 ' O ' HG21 ' A' ' 97' ' ' VAL . 68.2 t80 -61.72 -44.82 96.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.867 -178.412 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.23 -41.63 79.88 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.092 178.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 17.7 m -63.82 -38.99 93.16 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.664 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' ' 92' ' ' GLN . 68.3 mt -72.0 -37.26 69.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.027 -178.58 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.521 HG21 ' O ' ' A' ' 93' ' ' PHE . 62.3 t -67.63 -35.89 74.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.43 177.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -59.32 -34.76 72.72 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.674 178.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -63.47 -40.89 98.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.03 0.443 . . . . 0.0 110.084 177.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.502 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 5.4 t-160 -61.98 -41.81 98.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.791 178.631 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.528 HD21 ' HB3' ' A' ' 18' ' ' LEU . 3.8 mm? -59.74 -48.22 82.53 Favored 'General case' 0 C--O 1.231 0.094 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.288 178.614 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -61.4 -40.08 93.08 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 121.059 0.457 . . . . 0.0 110.833 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -62.89 -49.13 76.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.29 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -66.99 -25.05 66.12 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.381 -176.037 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.494 ' HG3' ' O ' ' A' ' 101' ' ' LEU . 80.7 mt-30 -61.49 -45.72 93.05 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 176.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 25.5 ttt85 -68.56 -31.71 71.12 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.206 176.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.687 ' O ' HG13 ' A' ' 111' ' ' ILE . 7.3 m170 -57.51 -50.86 71.69 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.198 179.189 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 70.8 t -58.97 -37.89 70.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.802 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.41 ' HG3' ' O ' ' A' ' 105' ' ' GLN . 46.5 mt-10 -63.48 -48.31 78.17 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.949 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.533 ' HB2' HD11 ' A' ' 70' ' ' ILE . 25.5 mt-10 -71.6 -29.57 64.84 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.847 -176.126 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.687 HG13 ' O ' ' A' ' 107' ' ' HIS . 73.2 mt -64.66 -77.6 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-O 120.694 0.283 . . . . 0.0 111.587 -179.711 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 . . . . . 0 C--N 1.33 -0.259 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -171.357 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 76.3 mt . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.966 0.412 . . . . 0.0 110.762 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.401 ' O ' ' HG2' ' A' ' 12' ' ' GLN . 66.6 mt -60.0 -46.7 88.61 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.57 -179.118 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.464 ' HG2' ' OE1' ' A' ' 13' ' ' GLN . 18.7 ttpp -59.43 -37.1 77.22 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.186 -176.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.56 -46.96 74.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.289 -177.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.411 ' O ' HG12 ' A' ' 15' ' ' ILE . 6.1 mm-40 -68.71 -38.0 79.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.539 -0.301 . . . . 0.0 110.4 179.265 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.401 ' HG2' ' O ' ' A' ' 8' ' ' LEU . 85.5 mm-40 -62.91 -36.84 84.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.812 177.344 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.464 ' OE1' ' HG2' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -65.51 -44.68 86.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.591 176.502 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.522 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -59.17 -46.6 93.55 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.547 -0.835 . . . . 0.0 111.618 176.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.411 HG12 ' O ' ' A' ' 11' ' ' GLU . 41.1 mm -58.62 -44.8 90.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.752 0.31 . . . . 0.0 110.375 176.655 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.9 mmmt -56.09 -44.47 79.06 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.467 -178.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.519 ' O ' HG23 ' A' ' 21' ' ' VAL . 56.8 mt -69.33 -42.82 81.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.548 178.299 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.526 ' HB3' HD21 ' A' ' 101' ' ' LEU . 94.7 mt -57.52 -37.1 72.48 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.312 -179.545 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 55.1 mmtt -56.69 -45.56 81.72 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.113 0.482 . . . . 0.0 110.849 177.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -74.33 -34.2 63.37 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.053 -176.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.584 HG22 HD11 ' A' ' 40' ' ' ILE . 86.2 t -59.98 -41.07 84.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.854 178.725 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 97.7 mt -56.99 -35.34 69.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.118 0.485 . . . . 0.0 110.633 178.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -72.16 -46.8 54.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.756 178.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.455 ' HD3' ' HA ' ' A' ' 24' ' ' LYS . 70.0 mmtt -73.15 -26.98 61.41 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.928 -175.242 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.87 -35.65 78.9 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.273 0.559 . . . . 0.0 109.731 173.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -72.52 -20.42 61.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.396 179.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -84.97 -22.03 29.32 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.753 175.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 70.06 38.96 73.92 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.953 -0.642 . . . . 0.0 111.903 -177.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -102.52 107.13 17.98 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.777 0.322 . . . . 0.0 110.51 -177.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -69.04 -32.05 71.26 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.864 -177.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -70.27 -45.94 65.36 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-O 120.864 0.364 . . . . 0.0 110.406 -177.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -64.73 -44.13 91.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.345 176.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 28.8 mt -59.86 -41.35 91.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.44 178.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.78 -45.27 90.47 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.746 0.308 . . . . 0.0 110.981 179.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.9 ttm-85 -62.84 -48.69 77.99 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.294 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.588 ' O ' HG13 ' A' ' 40' ' ' ILE . 91.1 mt -64.19 -45.67 87.33 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.018 -179.107 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.434 ' HA ' HD13 ' A' ' 40' ' ' ILE . 64.0 t30 -58.04 -44.3 87.3 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.172 0.51 . . . . 0.0 110.354 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.456 HE21 ' CA ' ' A' ' 38' ' ' GLN . 0.0 OUTLIER -61.46 -44.01 97.86 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.176 178.848 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -71.49 -29.38 64.75 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.82 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.588 HG13 ' O ' ' A' ' 36' ' ' LEU . 87.0 mt -56.73 -49.07 79.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 172.413 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.3 t -55.57 -40.8 61.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.364 177.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.441 ' HG2' ' O ' ' A' ' 38' ' ' GLN . 33.6 mmtp -58.02 -47.24 83.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.498 177.625 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.88 -47.64 61.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.581 -176.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.476 ' O ' HG23 ' A' ' 48' ' ' VAL . 6.1 mm-40 -60.5 -46.3 90.63 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.442 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.581 ' HE2' HG22 ' A' ' 78' ' ' ILE . 69.6 mmtt -62.36 -42.84 99.72 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 120.782 0.325 . . . . 0.0 111.31 179.023 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 21.4 tm0? -63.89 -43.48 95.86 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 -179.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.64 -46.76 93.46 Favored Glycine 0 N--CA 1.447 -0.584 0 CA-C-N 115.663 -0.699 . . . . 0.0 112.069 177.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 44' ' ' GLU . 65.6 t -54.31 -40.49 48.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.751 0.31 . . . . 0.0 111.019 178.035 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.463 ' HZ1' ' HB2' ' A' ' 49' ' ' LYS . 0.1 OUTLIER -64.87 -42.28 94.97 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.581 -179.183 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 23.9 t -69.22 -37.01 75.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.082 0.468 . . . . 0.0 110.182 177.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.53 ' HB3' ' HG ' ' A' ' 71' ' ' LEU . 18.1 m-85 -64.72 -39.4 93.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.908 176.508 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.758 ' HD3' HD13 ' A' ' 71' ' ' LEU . 65.0 mmtt -58.19 -32.98 68.77 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 121.036 0.446 . . . . 0.0 110.533 176.064 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -67.51 -50.64 57.9 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.688 177.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.47 -46.97 44.98 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -176.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.42 -40.61 97.64 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.821 0.344 . . . . 0.0 111.882 -173.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -77.37 -0.85 27.24 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.78 0.324 . . . . 0.0 110.981 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -130.49 25.64 5.1 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.703 -178.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -74.72 156.86 36.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.306 -177.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 20.4 ttm-85 -90.47 -38.8 13.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.545 -173.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -122.89 135.47 25.84 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.204 -176.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -53.8 -47.7 25.74 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 123.059 2.506 . . . . 0.0 112.823 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -59.89 -42.62 94.2 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.842 0.353 . . . . 0.0 111.016 179.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 45.1 mtpt -72.21 -35.23 68.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.173 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.5 ttp180 -62.37 -41.62 98.77 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.914 177.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.52 -34.02 72.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.463 -178.528 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 57.6 t -64.27 -52.22 58.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 121.064 0.459 . . . . 0.0 110.214 176.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 57.8 mt -65.72 -39.09 83.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.674 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -60.19 -49.0 79.38 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.951 -177.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.457 ' O ' ' HB2' ' A' ' 73' ' ' ASP . 44.4 mttm -63.35 -41.09 98.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.609 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.458 HG23 ' ND1' ' A' ' 107' ' ' HIS . 38.5 mt -66.05 -38.68 82.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.931 0.396 . . . . 0.0 110.751 178.791 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.758 HD13 ' HD3' ' A' ' 52' ' ' LYS . 4.5 tt -60.5 -52.03 66.91 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.103 179.569 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.486 ' OE1' HD21 ' A' ' 71' ' ' LEU . 5.0 mm-40 -68.83 -33.13 73.32 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.329 -178.356 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.856 ' HA ' ' HE3' ' A' ' 76' ' ' LYS . 0.8 OUTLIER -60.74 -40.86 93.97 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.451 178.67 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.494 ' O ' HG13 ' A' ' 78' ' ' ILE . 1.2 tp10 -60.41 -36.92 79.26 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.68 -175.247 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -66.53 -39.46 88.63 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.689 0.281 . . . . 0.0 110.944 174.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.856 ' HE3' ' HA ' ' A' ' 73' ' ' ASP . 5.2 mtmp? -62.54 -32.48 73.44 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.909 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 48.5 m170 -64.16 -47.68 78.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.582 0.706 . . . . 0.0 109.844 174.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.581 HG22 ' HE2' ' A' ' 45' ' ' LYS . 73.3 mt -57.75 -36.96 57.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 114.575 -1.193 . . . . 0.0 111.194 -177.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -54.19 -38.61 65.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.802 178.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.592 ' HZ2' ' HA ' ' A' ' 93' ' ' PHE . 23.0 t-105 -71.22 -53.89 12.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.786 0.327 . . . . 0.0 110.713 177.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 74.6 m-70 -59.98 -35.24 74.58 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.733 -176.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 58.3 tttm -72.72 -36.08 67.7 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.877 0.37 . . . . 0.0 110.46 177.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.06 -32.76 73.33 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.935 0.398 . . . . 0.0 110.892 179.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.142 177.67 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.124 0 N-CA-C 112.289 0.478 . . . . 0.0 112.289 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -63.94 -50.0 70.36 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 121.091 -0.244 . . . . 0.0 111.526 -175.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -68.65 -35.07 76.77 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.178 0.513 . . . . 0.0 110.177 -179.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.592 ' HA ' ' HZ2' ' A' ' 80' ' ' TRP . 88.4 t80 -61.56 -52.29 65.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.342 178.312 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.81 -47.26 85.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.753 -177.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 30.9 m -60.38 -42.04 95.03 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.26 -178.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 9.5 mp -73.23 -33.06 65.11 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.771 0.285 . . . . 0.0 111.771 179.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.501 HG22 ' O ' ' A' ' 93' ' ' PHE . 58.5 t -64.68 -36.98 78.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.002 0.429 . . . . 0.0 110.135 175.648 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 23.9 tm0? -60.18 -33.46 72.25 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.171 176.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -68.87 -40.39 79.3 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 120.904 0.383 . . . . 0.0 110.462 174.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 7.9 t-160 -57.82 -37.76 74.36 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.585 176.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.556 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 3.3 mm? -60.08 -48.76 80.37 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.328 176.752 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.427 ' O ' ' HB2' ' A' ' 105' ' ' GLN . 54.9 mt-30 -64.83 -35.37 80.89 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 121.115 0.484 . . . . 0.0 110.817 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -66.28 -50.2 64.5 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.517 -179.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.4 ' HA ' ' HB2' ' A' ' 107' ' ' HIS . 11.9 mm-40 -69.51 -19.4 63.73 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.961 -0.296 . . . . 0.0 110.298 -177.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.556 ' HG3' ' O ' ' A' ' 101' ' ' LEU . 74.2 mt-30 -60.44 -46.97 88.12 Favored 'General case' 0 CA--C 1.517 -0.307 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 172.221 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 3.7 mmt180 -68.68 -32.18 71.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.497 177.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.619 ' O ' HG13 ' A' ' 111' ' ' ILE . 12.0 m170 -58.63 -50.9 72.16 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.998 0.428 . . . . 0.0 109.9 175.629 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 77.6 t -68.22 -43.55 84.7 Favored 'Isoleucine or valine' 0 C--O 1.236 0.382 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.717 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' A' ' 105' ' ' GLN . 27.8 mm-40 -59.08 -35.69 73.81 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.741 0.305 . . . . 0.0 111.437 -178.491 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.22 -29.87 66.81 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.814 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.619 HG13 ' O ' ' A' ' 107' ' ' HIS . 18.3 mt -87.98 -73.1 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 N-CA-C 112.038 0.384 . . . . 0.0 112.038 -175.505 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 . . . . . 0 C--O 1.234 0.248 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 -167.48 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 63.2 mt . . . . . 0 N--CA 1.464 0.245 0 CA-C-O 120.504 0.192 . . . . 0.0 111.488 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 45.1 mt -65.6 -48.62 71.65 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.853 0.359 . . . . 0.0 111.005 177.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 13' ' ' GLN . 22.4 pttp -71.5 -32.72 68.53 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.691 -0.403 . . . . 0.0 111.497 -177.022 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.61 -47.3 70.06 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.564 0.209 . . . . 0.0 111.564 -179.016 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -66.81 -50.06 63.81 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.063 0.458 . . . . 0.0 110.041 -179.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -61.46 -31.69 71.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.95 178.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.467 ' O ' HG13 ' A' ' 17' ' ' ILE . 9.4 tt0 -59.12 -46.17 89.02 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 177.664 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.492 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -60.57 -45.56 96.08 Favored Glycine 0 N--CA 1.448 -0.511 0 N-CA-C 111.321 -0.712 . . . . 0.0 111.321 177.002 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.549 ' HA ' HD11 ' A' ' 18' ' ' LEU . 71.8 mt -59.19 -42.46 86.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.791 0.329 . . . . 0.0 111.014 177.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -62.36 -40.93 98.04 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.978 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' ' 13' ' ' GLN . 62.0 mt -69.37 -36.4 71.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.392 177.583 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.549 HD11 ' HA ' ' A' ' 15' ' ' ILE . 98.4 mt -57.8 -37.33 73.55 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.53 175.73 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -58.74 -38.04 77.51 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.072 177.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -67.34 -40.18 85.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.241 177.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.471 HG23 HD13 ' A' ' 40' ' ' ILE . 58.0 t -61.96 -41.27 90.29 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.359 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.86 -179.644 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 96.3 mt -55.75 -41.32 73.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.778 0.323 . . . . 0.0 111.584 -178.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -73.81 -39.68 63.9 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.914 0.388 . . . . 0.0 111.719 179.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.646 ' HG2' ' HG2' ' A' ' 32' ' ' GLU . 1.5 mptm? -83.67 -15.87 47.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.977 -175.461 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.454 ' HB3' ' HB1' ' A' ' 94' ' ' ALA . . . -56.97 -37.08 71.08 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.629 0.252 . . . . 0.0 111.467 178.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -72.5 -19.97 61.44 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.986 0.422 . . . . 0.0 110.564 178.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -78.36 -53.65 7.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.975 178.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.0 18.7 64.55 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.959 -0.639 . . . . 0.0 112.91 177.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -71.35 125.06 25.99 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.894 0.378 . . . . 0.0 110.359 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -69.2 -38.73 78.77 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.674 -0.693 . . . . 0.0 111.879 -173.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -69.63 -43.29 72.98 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.977 0.417 . . . . 0.0 110.671 -178.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.646 ' HG2' ' HG2' ' A' ' 24' ' ' LYS . 6.5 tp10 -60.58 -49.23 78.35 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.002 173.79 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 33' ' ' LEU . 18.9 mt -61.02 -39.52 90.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.612 -179.513 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.9 -46.11 90.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.558 0.218 . . . . 0.0 110.926 179.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 36.0 ttt180 -63.18 -49.95 72.28 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-O 120.892 0.377 . . . . 0.0 111.236 178.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.495 ' O ' HG13 ' A' ' 40' ' ' ILE . 93.8 mt -62.77 -45.78 91.09 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.778 -176.237 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.469 ' O ' HG22 ' A' ' 41' ' ' VAL . 66.8 t30 -59.57 -47.68 84.61 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.14 -179.605 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -61.41 -45.74 93.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.753 -179.773 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.691 ' HA ' ' HZ3' ' A' ' 42' ' ' LYS . 30.5 mt-10 -65.44 -36.25 83.35 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 121.114 -0.235 . . . . 0.0 111.414 -177.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.495 HG13 ' O ' ' A' ' 36' ' ' LEU . 97.0 mt -60.61 -49.26 85.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 175.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.469 HG22 ' O ' ' A' ' 37' ' ' ASN . 90.1 t -55.45 -42.02 65.7 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.23 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.691 ' HZ3' ' HA ' ' A' ' 39' ' ' GLU . 26.6 mtmm -62.69 -41.8 99.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.625 0.25 . . . . 0.0 110.999 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.14 -47.14 68.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.554 -178.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.441 ' O ' HG23 ' A' ' 48' ' ' VAL . 7.9 mm-40 -58.2 -46.76 85.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.28 178.51 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.516 ' HE2' HG21 ' A' ' 78' ' ' ILE . 62.5 mmtt -62.49 -39.98 95.22 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.952 -178.434 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 58.3 tp60 -60.82 -44.37 97.01 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.881 -0.415 . . . . 0.0 109.881 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.7 -47.89 85.61 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.583 -0.818 . . . . 0.0 111.908 177.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.487 HG13 ' HG ' ' A' ' 71' ' ' LEU . 82.9 t -56.97 -44.01 81.79 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 CA-C-O 120.748 0.308 . . . . 0.0 110.983 179.062 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.7 tmtt? -57.73 -46.0 85.03 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.539 -178.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 43.4 t -69.13 -42.91 81.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.743 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -59.04 -47.4 85.36 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.813 178.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.433 ' HB2' HD13 ' A' ' 71' ' ' LEU . 64.2 tttm -63.37 -44.02 95.98 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.917 0.389 . . . . 0.0 110.608 179.682 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -58.73 -47.35 84.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.902 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.01 -39.71 69.02 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.58 -179.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.35 -45.0 95.03 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -176.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -85.9 8.24 21.04 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.863 0.363 . . . . 0.0 111.132 -177.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -133.88 18.94 3.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.622 0.725 . . . . 0.0 109.355 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -84.99 172.38 11.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.428 -0.806 . . . . 0.0 111.234 -175.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 61.2 mtp180 -119.74 16.15 12.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.7 -178.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.448 ' HA ' ' HD3' ' A' ' 61' ' ' PRO . 28.5 t-20 -151.77 121.82 3.56 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.702 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 60' ' ' ASN . 25.3 Cg_exo -63.57 -41.94 23.26 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 123.153 2.569 . . . . 0.0 113.205 -177.029 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.417 ' O ' ' HB3' ' A' ' 65' ' ' GLN . 6.7 tp10 -67.18 -40.51 86.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.079 0.466 . . . . 0.0 110.501 -174.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.477 ' HE2' ' HA ' ' A' ' 63' ' ' LYS . 0.1 OUTLIER -65.69 -38.87 90.45 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.755 177.599 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 19.0 ttp85 -61.34 -41.44 97.06 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.171 177.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.417 ' HB3' ' O ' ' A' ' 62' ' ' GLU . 0.7 OUTLIER -55.45 -43.65 75.62 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 123.732 0.813 . . . . 0.0 111.321 178.805 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 46.6 t -67.11 -46.56 84.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 120.86 0.362 . . . . 0.0 110.568 178.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 80.9 mt -61.54 -38.15 79.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.534 178.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -58.35 -46.64 85.88 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.495 178.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -66.02 -37.86 86.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.946 177.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.426 HD12 ' HG2' ' A' ' 110' ' ' GLU . 77.2 mt -61.81 -42.6 95.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 175.077 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.487 ' HG ' HG13 ' A' ' 48' ' ' VAL . 5.9 tt -63.35 -46.02 88.48 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.684 176.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -58.9 -41.76 88.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.376 179.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.509 ' HB3' ' CE1' ' A' ' 107' ' ' HIS . 43.1 t0 -68.98 -44.71 72.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.326 0.584 . . . . 0.0 110.438 178.273 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.487 ' HB3' HG21 ' A' ' 48' ' ' VAL . 2.5 tp10 -64.01 -39.88 95.09 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.346 -176.413 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.637 ' HA ' ' OE1' ' A' ' 75' ' ' GLU . 1.3 mm-40 -66.01 -35.1 79.66 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-O 120.916 0.388 . . . . 0.0 110.295 173.02 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.459 ' HB3' ' O ' ' A' ' 73' ' ' ASP . 88.1 tttt -60.96 -36.56 79.72 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.587 179.333 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.466 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 38.7 m170 -66.38 -48.53 69.84 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.632 0.729 . . . . 0.0 109.871 176.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.516 HG21 ' HE2' ' A' ' 45' ' ' LYS . 70.9 mt -58.86 -35.79 58.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 114.619 -1.173 . . . . 0.0 110.91 -178.445 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.516 ' HG3' ' O ' ' A' ' 75' ' ' GLU . 43.6 mt-10 -55.16 -41.04 71.33 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.551 0.215 . . . . 0.0 111.018 177.646 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 31.0 t-105 -68.24 -50.33 54.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.995 0.426 . . . . 0.0 110.544 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -63.79 -34.73 78.56 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.203 -179.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -72.4 -36.02 68.55 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.653 179.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.81 -29.86 68.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.718 178.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.182 175.385 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.178 0 N-CA-C 112.751 0.649 . . . . 0.0 112.751 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.04 -36.22 83.29 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 112.454 0.539 . . . . 0.0 112.454 -171.543 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -58.87 -49.79 76.43 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.893 0.377 . . . . 0.0 110.411 175.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.535 ' O ' HG23 ' A' ' 97' ' ' VAL . 81.2 t80 -62.24 -45.33 93.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.381 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.454 ' HB1' ' HB3' ' A' ' 25' ' ' ALA . . . -57.32 -43.0 82.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.212 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 42.8 m -59.7 -41.81 91.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.964 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 9.6 mp -72.32 -32.35 66.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.939 179.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 93' ' ' PHE . 96.4 t -62.41 -40.77 89.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.704 0.287 . . . . 0.0 110.233 175.353 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.448 ' HG3' ' O ' ' A' ' 94' ' ' ALA . 26.4 mt-30 -57.72 -35.32 70.5 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.829 0.347 . . . . 0.0 110.42 176.777 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 32.6 mm-40 -66.59 -40.04 88.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.09 177.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.466 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 4.9 t-160 -59.32 -41.03 88.14 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 177.579 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.529 HD23 ' HB3' ' A' ' 18' ' ' LEU . 3.6 mm? -59.29 -47.7 84.38 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.573 177.217 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 17.0 mm-40 -68.13 -37.92 81.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.351 0.596 . . . . 0.0 110.744 179.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -64.78 -49.31 71.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.054 -0.975 . . . . 0.0 112.287 -173.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.452 ' O ' HG22 ' A' ' 108' ' ' VAL . 17.0 mm-40 -62.71 -23.03 66.94 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -174.15 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.458 ' O ' ' HG2' ' A' ' 109' ' ' GLU . 77.0 mt-30 -60.71 -33.13 72.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.87 0.367 . . . . 0.0 110.328 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' A' ' 106' ' ' ARG . 10.2 mtp180 -64.25 -34.02 77.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.113 177.302 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.509 ' CE1' ' HB3' ' A' ' 73' ' ' ASP . 64.5 m170 -74.55 -40.77 61.48 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.963 -177.56 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.452 HG22 ' O ' ' A' ' 104' ' ' GLU . 3.7 t -65.61 -36.14 76.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.255 178.488 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 105' ' ' GLN . 62.2 mm-40 -58.71 -37.65 76.58 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.897 177.452 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.426 ' HG2' HD12 ' A' ' 70' ' ' ILE . 15.7 tp10 -61.49 -39.59 91.5 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.718 0.294 . . . . 0.0 110.264 177.626 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.457 HG21 ' HG3' ' A' ' 112' ' ' GLU . 54.0 mt -66.52 -77.54 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.269 -0.423 . . . . 0.0 109.959 177.286 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.457 ' HG3' HG21 ' A' ' 111' ' ' ILE . 41.2 mt-10 . . . . . 0 N--CA 1.448 -0.575 0 CA-C-O 121.619 0.723 . . . . 0.0 110.199 178.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 42.8 tp . . . . . 0 N--CA 1.445 -0.697 0 CA-C-O 120.861 0.362 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 42.4 mt -59.7 -28.16 67.07 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -178.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -57.09 -33.37 67.22 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.478 -176.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.95 -47.17 87.65 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 120.745 0.307 . . . . 0.0 110.959 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.427 ' O ' HG13 ' A' ' 15' ' ' ILE . 6.2 mm-40 -63.04 -42.66 99.8 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.333 177.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 -62.54 -40.3 96.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.179 -178.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -65.67 -44.03 87.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.454 178.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.516 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -58.5 -46.28 93.36 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.771 -0.728 . . . . 0.0 111.712 176.64 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.521 ' HA ' HD11 ' A' ' 18' ' ' LEU . 80.5 mt -61.75 -39.43 83.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.564 0.221 . . . . 0.0 111.121 178.22 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -58.16 -47.01 84.69 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-O 120.988 0.423 . . . . 0.0 110.691 179.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 65.0 mt -65.56 -38.18 81.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.831 179.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.614 ' HB3' HD22 ' A' ' 101' ' ' LEU . 96.6 mt -58.27 -37.09 74.28 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.1 177.718 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' A' ' 15' ' ' ILE . 65.2 mttm -57.55 -45.19 85.41 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.882 0.373 . . . . 0.0 110.832 178.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -67.54 -34.88 77.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.814 -177.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.57 HG23 HD12 ' A' ' 40' ' ' ILE . 86.4 t -63.34 -41.34 92.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.892 179.567 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 92.4 mt -58.61 -35.74 72.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.763 178.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -69.96 -47.92 60.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.407 179.016 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.431 ' HE2' ' HA ' ' A' ' 24' ' ' LYS . 0.2 OUTLIER -68.5 -26.64 65.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.267 -177.28 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.91 -46.29 88.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.014 178.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -71.79 -34.08 69.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.567 178.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -60.06 -36.46 77.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.442 173.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 81.59 44.97 7.56 Favored Glycine 0 N--CA 1.448 -0.536 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.671 176.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -116.35 111.72 20.48 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.103 -0.332 . . . . 0.0 110.103 178.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -69.81 -28.99 66.17 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.206 -176.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -70.0 -47.93 60.19 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.749 -177.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -64.19 -42.23 96.75 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 175.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 41.5 mt -58.44 -44.28 89.12 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.101 177.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.9 -43.54 92.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.672 0.272 . . . . 0.0 111.023 179.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.402 ' O ' ' HG2' ' A' ' 39' ' ' GLU . 6.0 ttp180 -64.34 -46.96 81.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.131 0.491 . . . . 0.0 110.29 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.408 ' O ' HG13 ' A' ' 40' ' ' ILE . 89.5 mt -65.2 -34.61 78.77 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.278 178.219 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.42 ' O ' HG21 ' A' ' 41' ' ' VAL . 67.0 t30 -61.06 -41.52 96.77 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.273 0.558 . . . . 0.0 109.629 176.116 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -59.24 -41.1 87.92 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.048 175.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.402 ' HG2' ' O ' ' A' ' 35' ' ' ARG . 13.9 mm-40 -63.87 -39.54 94.45 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.73 177.667 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.57 HD12 HG23 ' A' ' 21' ' ' VAL . 79.8 mt -62.77 -49.69 82.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.702 178.525 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.42 HG21 ' O ' ' A' ' 37' ' ' ASN . 85.2 t -56.87 -50.27 75.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.076 -177.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -63.15 -36.48 83.76 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 120.637 0.256 . . . . 0.0 111.093 -178.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.04 -47.42 71.43 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.814 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.486 ' O ' HG21 ' A' ' 48' ' ' VAL . 7.1 mm-40 -61.49 -45.36 94.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.327 177.416 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.406 ' HE2' HD12 ' A' ' 78' ' ' ILE . 73.8 mmtt -59.5 -39.79 84.94 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 120.736 0.303 . . . . 0.0 111.135 178.41 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.45 -44.85 95.4 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 179.125 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.45 ' O ' ' HD2' ' A' ' 51' ' ' TYR . . . -64.78 -46.45 89.65 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.154 176.398 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.486 HG21 ' O ' ' A' ' 44' ' ' GLU . 76.6 t -53.91 -40.82 46.39 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.086 0 C-N-CA 122.378 0.271 . . . . 0.0 110.964 178.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -55.68 -49.91 71.67 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.898 178.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.7 t -69.72 -46.27 75.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.939 -178.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.45 ' HD2' ' O ' ' A' ' 47' ' ' GLY . 38.1 m-85 -59.17 -46.33 88.68 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.109 179.197 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.532 ' HA ' HD13 ' A' ' 71' ' ' LEU . 39.9 ttmt -60.93 -43.3 98.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.962 0.41 . . . . 0.0 110.992 -178.624 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -67.52 -38.39 84.18 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.386 -178.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.76 -35.26 70.04 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.572 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.9 -47.6 82.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.004 0.431 . . . . 0.0 111.938 -177.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -86.84 17.68 3.91 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.989 -177.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.7 ttmm -143.95 13.73 1.68 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.181 -178.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.55 162.79 26.84 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.974 -172.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -70.5 -77.23 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.423 179.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -104.92 153.8 39.12 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.972 -175.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo -57.65 -28.21 80.58 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 123.255 2.636 . . . . 0.0 113.009 -179.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -61.45 -39.04 89.39 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.156 0.503 . . . . 0.0 110.613 178.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -67.36 -42.5 83.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.183 178.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.432 ' HD2' ' HB2' ' A' ' 68' ' ' ASP . 2.8 tmm_? -66.18 -37.07 84.72 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.021 -179.044 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -56.71 -46.15 81.44 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-O 120.966 0.412 . . . . 0.0 110.568 176.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.578 ' HA ' ' HZ1' ' A' ' 69' ' ' LYS . 60.2 t -65.76 -49.77 75.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.214 179.107 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.404 HG23 ' HD1' ' A' ' 51' ' ' TYR . 78.3 mt -60.84 -45.99 97.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.351 -179.254 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.432 ' HB2' ' HD2' ' A' ' 64' ' ' ARG . 19.4 t70 -63.31 -47.49 82.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.918 -175.341 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.578 ' HZ1' ' HA ' ' A' ' 66' ' ' VAL . 23.9 pttm -70.34 -32.6 70.38 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.297 -0.561 . . . . 0.0 110.707 -177.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.494 ' O ' ' HG2' ' A' ' 74' ' ' GLU . 28.9 mt -70.62 -39.78 76.34 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.352 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 173.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.532 HD13 ' HA ' ' A' ' 52' ' ' LYS . 6.9 mt -56.77 -49.68 74.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.711 173.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -63.13 -35.57 80.73 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.316 -0.857 . . . . 0.0 109.503 177.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.524 ' O ' ' HB3' ' A' ' 76' ' ' LYS . 0.4 OUTLIER -69.79 -43.77 71.44 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.32 -179.388 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.494 ' HG2' ' O ' ' A' ' 70' ' ' ILE . 66.0 mm-40 -63.63 -41.58 98.25 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 121.079 -0.248 . . . . 0.0 110.466 -178.53 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -63.62 -34.57 78.12 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.457 0.646 . . . . 0.0 109.744 174.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.524 ' HB3' ' O ' ' A' ' 73' ' ' ASP . 34.8 ttmt -63.95 -40.3 96.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.118 -0.946 . . . . 0.0 110.175 175.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.521 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 29.9 m170 -64.87 -48.5 74.02 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 121.355 0.598 . . . . 0.0 109.809 178.204 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.411 HG13 ' O ' ' A' ' 74' ' ' GLU . 89.4 mt -60.53 -39.24 80.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 CA-C-N 115.021 -0.991 . . . . 0.0 110.926 -178.51 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -56.56 -33.5 66.2 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 120.796 0.331 . . . . 0.0 110.582 178.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 18.1 t-105 -71.13 -57.99 3.98 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.73 175.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -57.47 -32.43 66.95 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.229 0.538 . . . . 0.0 111.371 -178.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 53.6 tttt -65.39 -47.99 74.43 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.055 176.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.29 -33.35 69.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.95 0.405 . . . . 0.0 111.496 -178.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.517 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.464 -179.064 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.225 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -68.83 -48.31 63.86 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.894 0.378 . . . . 0.0 111.408 -173.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -68.99 -35.7 77.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.05 0.453 . . . . 0.0 110.262 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.522 ' O ' HG21 ' A' ' 97' ' ' VAL . 39.5 t80 -63.04 -48.63 77.9 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.313 174.735 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.531 ' O ' ' HG3' ' A' ' 98' ' ' GLN . . . -59.29 -39.36 82.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.171 179.361 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 30.4 m -57.21 -44.24 83.53 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.419 178.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 8.6 mp -72.72 -33.01 66.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.374 178.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.522 HG21 ' O ' ' A' ' 93' ' ' PHE . 84.9 t -62.78 -37.77 79.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.865 0.364 . . . . 0.0 110.247 175.248 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.531 ' HG3' ' O ' ' A' ' 94' ' ' ALA . 95.5 mt-30 -59.89 -33.21 71.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.565 177.081 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -64.03 -36.27 83.43 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.401 175.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.521 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 7.0 t-160 -64.34 -40.99 96.97 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 176.643 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.614 HD22 ' HB3' ' A' ' 18' ' ' LEU . 3.9 mm? -60.07 -48.56 81.22 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.915 176.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.408 ' HG2' ' O ' ' A' ' 98' ' ' GLN . 16.8 mm-40 -64.41 -35.89 82.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.218 0.532 . . . . 0.0 110.285 179.635 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -67.93 -49.74 60.07 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.879 -177.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -64.55 -20.73 66.41 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.707 0.289 . . . . 0.0 110.586 -177.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.542 ' HG3' ' O ' ' A' ' 101' ' ' LEU . 78.3 mt-30 -63.07 -46.93 85.13 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.498 175.479 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 21.1 ttt180 -65.42 -32.73 74.51 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.843 0.354 . . . . 0.0 110.249 177.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.432 ' O ' HG12 ' A' ' 111' ' ' ILE . 15.2 m170 -58.22 -44.07 88.02 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 177.383 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 59.4 t -69.28 -43.72 81.05 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.321 175.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.515 ' HG3' ' O ' ' A' ' 105' ' ' GLN . 48.4 mt-10 -57.8 -38.82 76.2 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -177.125 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -70.05 -27.51 64.71 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 122.199 -0.313 . . . . 0.0 111.517 179.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.432 HG12 ' O ' ' A' ' 107' ' ' HIS . 31.6 mm -83.87 -73.83 0.3 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 CA-C-O 120.719 0.295 . . . . 0.0 111.525 179.801 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 . . . . . 0 C--O 1.234 0.265 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -173.764 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 95.3 mt . . . . . 0 CA--C 1.527 0.076 0 CA-C-O 120.87 0.367 . . . . 0.0 110.36 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 87.2 mt -59.92 -28.64 67.77 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.449 178.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 43.5 tttp -56.44 -34.89 67.26 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.388 -174.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.24 -47.06 68.8 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.104 -179.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -68.32 -40.07 81.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.159 0.504 . . . . 0.0 109.903 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -63.82 -39.37 94.08 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.058 178.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -63.99 -41.13 97.6 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.482 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.502 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -58.83 -46.46 93.5 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.898 177.145 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 64.6 mt -63.34 -39.56 85.73 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 CA-C-O 120.94 0.4 . . . . 0.0 110.594 178.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.0 tmtm? -56.42 -46.04 80.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.646 177.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.5 HD12 ' HB3' ' A' ' 39' ' ' GLU . 75.1 mt -65.99 -40.79 88.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.65 178.351 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.536 ' HB3' HD22 ' A' ' 101' ' ' LEU . 95.7 mt -57.81 -36.9 72.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.083 178.643 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 30.3 mmtp -60.56 -44.32 96.29 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 120.772 0.32 . . . . 0.0 110.897 177.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -62.76 -33.45 75.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.042 -179.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.506 ' HA ' HD12 ' A' ' 36' ' ' LEU . 60.5 t -59.08 -42.01 85.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.802 -179.407 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 87.3 mt -58.46 -41.1 84.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.698 179.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.2 mmmt -73.1 -46.98 48.24 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.586 178.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.711 ' HD3' ' HB3' ' A' ' 32' ' ' GLU . 68.8 mttm -69.7 -26.82 64.54 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.901 -173.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.94 -34.42 78.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.1 0.476 . . . . 0.0 110.105 174.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -72.36 -32.81 66.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.812 178.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -64.89 -28.48 69.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.2 177.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 77.18 17.35 79.65 Favored Glycine 0 N--CA 1.45 -0.372 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.86 175.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -95.38 114.58 26.37 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.882 0.372 . . . . 0.0 110.184 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -72.56 -21.52 61.14 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.02 -0.537 . . . . 0.0 112.251 -176.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -68.16 -43.23 78.69 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 177.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.711 ' HB3' ' HD3' ' A' ' 24' ' ' LYS . 63.2 mm-40 -60.95 -43.09 99.18 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.048 174.386 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.4 ' HA ' HD13 ' A' ' 36' ' ' LEU . 84.8 mt -61.06 -45.39 94.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.305 179.516 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.86 -42.5 99.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.08 0.467 . . . . 0.0 110.331 177.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 34.8 ttt180 -59.0 -46.82 87.21 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.678 176.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.587 HD11 ' HD2' ' A' ' 24' ' ' LYS . 80.3 mt -58.95 -46.31 88.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.346 -178.465 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.449 ' O ' HG22 ' A' ' 41' ' ' VAL . 5.9 t30 -62.23 -41.24 98.22 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 -177.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.51 -47.81 82.32 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.395 175.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.5 ' HB3' HD12 ' A' ' 17' ' ' ILE . 5.8 mm-40 -59.81 -41.81 92.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.134 179.72 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.476 HG13 ' O ' ' A' ' 36' ' ' LEU . 94.5 mt -60.15 -49.8 82.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.608 178.158 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.449 HG22 ' O ' ' A' ' 37' ' ' ASN . 89.2 t -56.27 -46.1 81.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.01 0.433 . . . . 0.0 110.614 178.24 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 52.3 mtpt -61.69 -42.91 99.57 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.467 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.55 -47.13 61.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.552 -0.294 . . . . 0.0 111.494 -179.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.464 ' O ' HG21 ' A' ' 48' ' ' VAL . 6.0 mm-40 -58.84 -46.28 88.06 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.479 -179.542 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.4 ' CG ' HD12 ' A' ' 78' ' ' ILE . 27.0 mtpp -69.4 -30.95 69.02 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 116.712 -0.222 . . . . 0.0 111.39 -179.62 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -60.29 -40.95 92.29 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 175.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -68.16 -45.87 68.62 Favored Glycine 0 N--CA 1.446 -0.638 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.744 174.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.464 HG21 ' O ' ' A' ' 44' ' ' GLU . 63.4 t -53.83 -40.93 46.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.77 0.319 . . . . 0.0 111.196 178.453 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -58.23 -51.52 69.41 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.206 -177.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.8 m -73.3 -41.15 57.7 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.235 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 178.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.485 ' HB2' HD22 ' A' ' 71' ' ' LEU . 10.8 m-85 -66.48 -37.96 86.25 Favored 'General case' 0 C--O 1.226 -0.166 0 N-CA-C 111.556 0.206 . . . . 0.0 111.556 -176.224 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.557 ' HA ' ' HG ' ' A' ' 71' ' ' LEU . 55.1 tttp -63.08 -37.41 87.09 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.0 0.428 . . . . 0.0 110.141 -179.125 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -67.24 -43.02 83.01 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.219 176.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.71 -32.99 71.87 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.487 -178.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.15 -42.1 94.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.854 0.359 . . . . 0.0 111.277 -179.052 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -81.16 -12.92 59.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.053 -178.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.5 ttpt -125.22 28.65 6.29 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.423 0.63 . . . . 0.0 110.197 -174.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.62 ' HB3' ' HG3' ' A' ' 64' ' ' ARG . . . -78.37 157.88 28.94 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.348 179.157 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 52.0 mtt180 -101.79 -59.16 1.75 Allowed 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.872 -174.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -83.65 128.02 65.44 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.001 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -59.9 -38.5 78.79 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 123.066 2.511 . . . . 0.0 113.231 -174.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -63.56 -45.27 91.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.961 0.41 . . . . 0.0 110.515 -177.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 32.8 mmtm -75.8 -28.01 58.17 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.305 176.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.62 ' HG3' ' HB3' ' A' ' 58' ' ' ALA . 29.8 ttt180 -57.73 -46.21 84.75 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 175.531 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.11 -43.17 95.8 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.858 177.095 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 77.8 t -58.74 -53.66 44.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.313 178.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 70.3 mt -62.27 -42.47 95.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.712 -178.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -60.08 -47.07 87.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.771 179.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.543 ' HA ' ' HE3' ' A' ' 69' ' ' LYS . 0.1 OUTLIER -64.12 -45.27 89.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.847 -177.142 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.533 HG22 ' ND1' ' A' ' 107' ' ' HIS . 50.8 mt -66.94 -38.23 80.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.951 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.557 ' HG ' ' HA ' ' A' ' 52' ' ' LYS . 2.8 tm? -58.68 -50.05 75.32 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.44 177.227 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -68.69 -35.8 77.66 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.073 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.46 ' HB3' ' CE1' ' A' ' 107' ' ' HIS . 0.5 OUTLIER -62.06 -42.65 99.41 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 121.221 0.534 . . . . 0.0 110.299 178.391 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -60.51 -39.11 86.59 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.098 -0.956 . . . . 0.0 110.482 -176.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.423 ' HA ' HD13 ' A' ' 78' ' ' ILE . 19.7 mm-40 -67.68 -35.84 79.58 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 120.729 0.299 . . . . 0.0 110.998 174.655 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -64.57 -34.03 77.29 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.614 0.245 . . . . 0.0 110.86 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.404 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 45.2 m170 -61.67 -47.24 86.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.69 0.757 . . . . 0.0 109.467 175.553 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.556 HG21 ' HE3' ' A' ' 82' ' ' LYS . 48.6 mt -61.39 -38.41 79.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 114.778 -1.101 . . . . 0.0 110.421 178.764 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.461 ' HA ' ' OE1' ' A' ' 79' ' ' GLU . 9.3 mm-40 -56.74 -43.28 80.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.464 175.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.433 ' CZ2' HD12 ' A' ' 96' ' ' LEU . 21.5 t-105 -65.06 -53.88 38.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.733 176.383 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 53.7 m-70 -59.27 -36.67 75.93 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -177.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.623 ' HZ3' ' HB2' ' A' ' 82' ' ' LYS . 10.6 mtmp? -68.78 -36.24 78.05 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.689 177.663 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.83 -35.23 72.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.039 0.447 . . . . 0.0 110.716 176.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.515 179.079 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.138 0 N-CA-C 111.566 0.21 . . . . 0.0 111.566 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -63.44 -47.52 81.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.876 0.37 . . . . 0.0 111.702 -174.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -68.16 -39.02 82.69 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.512 0.672 . . . . 0.0 109.905 177.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.55 ' O ' HG12 ' A' ' 97' ' ' VAL . 70.8 t80 -61.52 -49.82 75.17 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.803 -1.089 . . . . 0.0 111.006 -177.204 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.472 ' O ' HG21 ' A' ' 97' ' ' VAL . . . -66.12 -24.84 66.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.749 0.309 . . . . 0.0 111.646 -177.238 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.423 ' HA ' HE21 ' A' ' 98' ' ' GLN . 52.5 m -72.41 -42.05 65.58 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.137 0.494 . . . . 0.0 109.966 173.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.433 HD12 ' CZ2' ' A' ' 80' ' ' TRP . 94.3 mt -72.87 -33.74 66.28 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.704 -178.061 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.55 HG12 ' O ' ' A' ' 93' ' ' PHE . 32.6 m -63.54 -35.21 71.74 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 CA-C-O 120.732 0.301 . . . . 0.0 110.83 178.527 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.423 HE21 ' HA ' ' A' ' 95' ' ' SER . 43.3 mt-30 -57.64 -32.19 67.01 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.289 177.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.67 -42.75 99.79 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 177.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.404 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 5.6 t-160 -66.9 -41.67 86.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.716 178.421 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.536 HD22 ' HB3' ' A' ' 18' ' ' LEU . 3.8 mm? -59.21 -48.37 81.88 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.52 178.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -67.39 -36.04 80.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.071 0.462 . . . . 0.0 110.653 179.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -62.88 -48.99 76.61 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.547 -178.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.435 ' O ' HG21 ' A' ' 108' ' ' VAL . 20.5 mm-40 -66.82 -27.61 67.7 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 121.008 -0.277 . . . . 0.0 110.59 -178.217 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.573 ' O ' ' HG3' ' A' ' 109' ' ' GLU . 77.4 mt-30 -66.89 -39.08 87.37 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 173.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.96 -38.72 89.56 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.142 172.424 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.605 ' O ' HG13 ' A' ' 111' ' ' ILE . 17.2 m170 -59.88 -49.81 76.24 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.071 175.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.435 HG21 ' O ' ' A' ' 104' ' ' GLU . 94.1 t -61.67 -40.99 88.66 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.367 -179.557 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.573 ' HG3' ' O ' ' A' ' 105' ' ' GLN . 50.8 mt-10 -56.99 -45.29 83.1 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-O 121.19 0.519 . . . . 0.0 110.335 177.2 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -70.04 -29.26 66.24 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.327 -0.852 . . . . 0.0 110.71 -176.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.605 HG13 ' O ' ' A' ' 107' ' ' HIS . 57.7 mt -81.55 -67.16 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.971 0.415 . . . . 0.0 111.265 178.472 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.582 -172.905 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.568 ' HB3' ' HE1' ' A' ' 51' ' ' TYR . 53.5 mt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.735 0.302 . . . . 0.0 110.74 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -70.7 -38.17 73.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.013 178.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -59.33 -31.47 69.2 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.312 178.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.88 -44.69 86.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.686 0.279 . . . . 0.0 111.098 177.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -66.21 -40.87 90.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.832 0.349 . . . . 0.0 110.524 176.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -62.61 -33.88 75.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.548 177.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.441 ' O ' HG13 ' A' ' 17' ' ' ILE . 25.3 tp60 -62.12 -45.26 94.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.169 177.201 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.623 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -62.02 -46.59 93.75 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.806 -0.712 . . . . 0.0 111.647 177.604 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 82.6 mt -60.16 -43.05 92.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.743 0.306 . . . . 0.0 110.732 178.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.3 tmtm? -56.54 -44.49 80.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.514 177.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.532 ' O ' HG22 ' A' ' 21' ' ' VAL . 69.9 mt -68.66 -42.91 83.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.877 178.269 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.623 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 93.4 mt -57.26 -37.43 72.33 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.959 -179.648 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.594 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 98.9 mttt -57.73 -42.22 83.4 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 121.08 0.467 . . . . 0.0 111.055 176.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -75.22 -32.7 61.22 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.981 -179.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.539 HG21 HD11 ' A' ' 40' ' ' ILE . 87.9 t -59.67 -44.98 94.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.992 178.67 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.594 ' HG ' ' O ' ' A' ' 19' ' ' LYS . 4.4 pp -64.45 -34.74 78.9 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.59 179.442 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -63.69 -47.71 80.06 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 121.282 0.563 . . . . 0.0 109.943 175.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.459 ' HA ' ' HD3' ' A' ' 24' ' ' LYS . 69.7 mmtt -72.27 -21.16 61.41 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.605 -176.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.84 -33.37 70.59 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.949 0.404 . . . . 0.0 110.513 175.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -72.76 -30.83 64.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.255 0.55 . . . . 0.0 110.439 176.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -78.08 -33.56 50.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.794 178.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.63 39.91 47.81 Favored Glycine 0 N--CA 1.448 -0.521 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 -175.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -94.53 100.51 12.47 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 -176.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -60.42 -41.47 94.02 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.61 -176.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -60.99 -50.67 72.45 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 -176.193 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -71.47 -38.56 71.24 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.258 -179.322 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.456 HD22 ' CE2' ' A' ' 93' ' ' PHE . 31.1 mt -59.52 -45.7 91.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.559 0.218 . . . . 0.0 110.863 177.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.63 -44.46 90.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.872 0.368 . . . . 0.0 110.562 178.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.444 HH11 ' HD3' ' A' ' 35' ' ' ARG . 24.5 ttm-85 -59.68 -49.09 79.11 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.125 178.067 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.555 ' O ' HG13 ' A' ' 40' ' ' ILE . 90.7 mt -63.67 -45.08 91.73 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.754 -179.202 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.418 ' O ' HG21 ' A' ' 41' ' ' VAL . 7.6 t30 -59.86 -40.28 88.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.168 0.509 . . . . 0.0 110.199 179.204 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -66.76 -42.73 85.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.571 177.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.48 ' HA ' ' HG2' ' A' ' 42' ' ' LYS . 0.3 OUTLIER -70.57 -30.72 67.5 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.46 -179.579 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.555 HG13 ' O ' ' A' ' 36' ' ' LEU . 83.2 mt -56.97 -49.56 78.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 172.378 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.418 HG21 ' O ' ' A' ' 37' ' ' ASN . 61.9 t -54.8 -40.17 51.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.928 177.803 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.48 ' HG2' ' HA ' ' A' ' 39' ' ' GLU . 37.5 mmtm -58.09 -48.02 81.45 Favored 'General case' 0 CA--C 1.528 0.106 0 CA-C-O 120.907 0.384 . . . . 0.0 110.428 179.134 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.3 -46.45 64.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.413 -176.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.488 ' O ' HG23 ' A' ' 48' ' ' VAL . 7.7 mm-40 -58.84 -46.38 87.85 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.594 -179.32 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.551 ' HE2' HG22 ' A' ' 78' ' ' ILE . 62.3 mmtt -65.51 -37.48 86.89 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.221 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.44 -45.35 93.98 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 177.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -66.27 -47.16 73.74 Favored Glycine 0 N--CA 1.448 -0.545 0 CA-C-N 115.547 -0.751 . . . . 0.0 112.559 178.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.521 HG21 ' HB3' ' A' ' 74' ' ' GLU . 81.0 t -58.14 -41.96 82.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.934 0.367 . . . . 0.0 111.211 -179.643 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -63.66 -50.17 70.31 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.017 -176.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 25.4 m -70.87 -34.44 55.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 111.666 0.247 . . . . 0.0 111.666 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.568 ' HE1' ' HB3' ' A' ' 7' ' ' LEU . 11.4 m-30 -65.51 -37.23 86.16 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.461 0.172 . . . . 0.0 110.923 179.602 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 48.7 tttm -57.51 -44.5 85.09 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.704 0.287 . . . . 0.0 110.703 178.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -69.48 -42.17 75.18 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.999 0.428 . . . . 0.0 110.238 177.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.92 -32.5 72.91 Favored 'General case' 0 C--O 1.225 -0.194 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.439 -179.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.04 -32.87 72.47 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.424 178.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -90.92 -11.9 37.69 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.993 0.425 . . . . 0.0 110.654 -179.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 54.0 mttp -109.76 21.18 17.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.358 176.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.91 -29.27 69.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.767 -174.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.534 ' HD3' ' O ' ' A' ' 59' ' ' ARG . 3.9 tmt_? 78.21 -23.78 0.24 Allowed 'General case' 0 N--CA 1.468 0.439 0 O-C-N 123.699 0.624 . . . . 0.0 111.351 172.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.45 ' HB3' ' CD ' ' A' ' 63' ' ' LYS . 21.4 t-20 -144.44 135.35 12.34 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 122.314 -0.241 . . . . 0.0 110.703 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -56.42 -38.36 95.41 Favored 'Trans proline' 0 CA--C 1.533 0.442 0 C-N-CA 123.633 2.889 . . . . 0.0 114.318 -176.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -69.49 -44.37 71.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.807 0.336 . . . . 0.0 110.876 -175.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.45 ' CD ' ' HB3' ' A' ' 60' ' ' ASN . 7.3 ptmm? -75.87 -26.44 57.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.925 0.393 . . . . 0.0 110.35 177.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -58.55 -44.13 89.56 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 174.204 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 24.9 tm0? -56.99 -42.32 80.05 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.896 179.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.53 HG11 ' HG3' ' A' ' 110' ' ' GLU . 87.2 t -59.02 -49.98 81.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.01 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 49.2 mm -65.44 -45.75 92.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.794 -179.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -63.24 -37.92 89.14 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.408 -178.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -60.73 -46.28 91.02 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.102 0.477 . . . . 0.0 111.135 178.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 16.1 mt -72.19 -37.15 58.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.109 178.538 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -54.76 -41.81 70.92 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 175.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -64.69 -47.37 78.62 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.944 175.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.53 ' HB3' ' CE1' ' A' ' 107' ' ' HIS . 0.4 OUTLIER -71.24 -39.05 71.9 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.914 -173.357 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.521 ' HB3' HG21 ' A' ' 48' ' ' VAL . 3.2 tp10 -66.81 -34.4 77.72 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.607 -173.435 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.504 ' HA ' ' OE1' ' A' ' 75' ' ' GLU . 1.3 mm-40 -67.87 -34.64 77.06 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 121.376 0.607 . . . . 0.0 110.222 172.345 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.518 ' HB3' ' O ' ' A' ' 73' ' ' ASP . 87.7 tttt -61.29 -33.89 74.3 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.686 178.429 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 51.8 m170 -68.99 -48.11 63.9 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.262 0.553 . . . . 0.0 110.712 179.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.551 HG22 ' HE2' ' A' ' 45' ' ' LYS . 57.9 mt -59.57 -48.89 85.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.053 -174.782 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.471 ' HA ' ' HD3' ' A' ' 82' ' ' LYS . 73.4 mm-40 -58.47 -32.7 69.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.982 178.818 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 10.0 t-105 -68.67 -49.6 57.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.675 -0.239 . . . . 0.0 110.485 179.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 44.1 m-70 -61.9 -32.36 72.73 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-O 120.703 0.287 . . . . 0.0 111.772 176.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.471 ' HD3' ' HA ' ' A' ' 79' ' ' GLU . 52.3 mtpt -62.04 -47.34 85.18 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.848 0.356 . . . . 0.0 110.687 175.434 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.11 -30.44 68.72 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.324 -179.148 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.423 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -174.617 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.792 0.33 . . . . 0.0 110.344 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -58.75 -39.32 80.58 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.347 0.594 . . . . 0.0 110.356 176.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.505 ' O ' ' HG ' ' A' ' 96' ' ' LEU . 2.2 mp0 -68.04 -38.22 82.24 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.549 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.456 ' CE2' HD22 ' A' ' 33' ' ' LEU . 0.9 OUTLIER -62.97 -37.63 87.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.206 -177.682 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.407 ' O ' ' HG3' ' A' ' 98' ' ' GLN . . . -60.73 -30.46 69.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.991 176.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 22.4 t -84.67 -36.48 21.89 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.906 0.384 . . . . 0.0 110.6 177.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 92' ' ' GLN . 89.5 mt -65.69 -38.41 89.15 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.282 -177.695 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 14.7 p -62.48 -34.76 66.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.4 178.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.407 ' HG3' ' O ' ' A' ' 94' ' ' ALA . 90.5 mt-30 -57.46 -44.05 84.51 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.362 178.227 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -65.52 -42.97 91.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.844 -175.009 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -68.58 -42.33 78.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.841 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.408 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 55.3 tp -61.16 -48.37 81.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.754 -179.027 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -66.81 -34.77 78.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.567 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -65.01 -49.92 68.31 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.641 -179.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -66.32 -22.34 66.28 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 120.508 0.194 . . . . 0.0 110.509 -177.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.412 ' O ' ' HG3' ' A' ' 109' ' ' GLU . 78.1 mt-30 -61.61 -46.36 90.15 Favored 'General case' 0 C--N 1.333 -0.136 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 172.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.5 -33.77 76.31 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.341 175.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.53 ' CE1' ' HB3' ' A' ' 73' ' ' ASP . 12.3 m170 -60.6 -49.79 76.13 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.17 0.509 . . . . 0.0 110.286 177.258 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 85.8 t -67.69 -37.97 79.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.719 179.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' ' 105' ' ' GLN . 47.9 mt-10 -57.39 -34.06 68.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.977 174.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.53 ' HG3' HG11 ' A' ' 66' ' ' VAL . 5.9 tp10 -69.75 -45.13 68.79 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.042 -178.723 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.475 HG13 ' O ' ' A' ' 107' ' ' HIS . 0.9 OUTLIER -93.38 -65.62 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.291 0.567 . . . . 0.0 112.247 -174.291 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 . . . . . 0 C--N 1.326 -0.455 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.715 -166.998 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.672 ' HG ' HG21 ' A' ' 50' ' ' VAL . 6.8 mp . . . . . 0 C--O 1.233 0.194 0 CA-C-O 121.129 0.49 . . . . 0.0 110.067 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -65.88 -39.97 91.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.498 -0.773 . . . . 0.0 110.018 179.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -61.72 -41.84 98.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.558 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.94 -41.64 91.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.691 0.281 . . . . 0.0 110.846 179.339 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -61.29 -44.29 97.46 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-O 121.197 0.522 . . . . 0.0 109.789 177.016 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 71.5 mm-40 -61.88 -38.9 90.03 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.139 177.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.473 ' O ' HG13 ' A' ' 17' ' ' ILE . 48.9 mt-30 -61.3 -44.76 96.68 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.028 179.428 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.621 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -59.9 -46.5 94.01 Favored Glycine 0 C--N 1.332 0.358 0 C-N-CA 120.673 -0.775 . . . . 0.0 111.82 177.573 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.531 ' HA ' HD12 ' A' ' 18' ' ' LEU . 79.1 mt -58.61 -42.13 84.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.033 0.444 . . . . 0.0 111.121 179.088 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 31.0 ttmt -65.14 -41.35 94.88 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.895 -177.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 13' ' ' GLN . 58.1 mt -69.06 -33.45 58.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.567 178.259 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.621 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 86.9 mt -57.05 -37.56 71.98 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.213 178.806 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -66.92 -37.34 84.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.909 0.385 . . . . 0.0 110.839 179.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -62.79 -36.9 84.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.018 178.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.448 HG12 HG23 ' A' ' 97' ' ' VAL . 64.9 t -60.47 -41.56 88.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.643 178.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 48.4 mt -62.89 -38.11 89.59 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.589 -179.05 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -71.99 -48.03 47.72 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.172 179.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.44 -26.6 61.9 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.84 -174.736 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.23 -36.29 79.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.976 0.417 . . . . 0.0 110.516 176.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -71.9 -34.5 69.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.491 177.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -67.08 -31.53 72.08 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.212 175.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 84.89 35.14 13.37 Favored Glycine 0 N--CA 1.449 -0.447 0 CA-C-N 115.772 -0.649 . . . . 0.0 113.4 172.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -109.9 128.98 55.69 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.863 0.363 . . . . 0.0 110.503 176.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -89.95 -24.0 21.41 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.191 -175.196 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -61.96 -46.79 87.72 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 174.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.446 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 20.2 mm-40 -60.95 -45.57 94.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.743 174.322 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 50.9 mt -58.88 -41.94 88.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.442 -179.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.76 -45.86 87.93 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 120.748 0.309 . . . . 0.0 110.479 178.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 51.7 ttm-85 -60.25 -49.12 78.86 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.047 177.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.505 ' O ' HG13 ' A' ' 40' ' ' ILE . 96.0 mt -62.71 -42.89 99.88 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.712 -178.244 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.454 ' O ' HG23 ' A' ' 41' ' ' VAL . 25.7 t-20 -56.02 -48.71 75.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.139 178.232 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.48 -48.18 80.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.032 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -65.48 -32.42 74.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.682 -0.236 . . . . 0.0 111.382 -176.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.547 ' O ' ' HG2' ' A' ' 44' ' ' GLU . 80.1 mt -62.37 -49.51 83.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 174.243 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 37' ' ' ASN . 83.9 t -57.69 -40.66 76.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.721 179.263 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -59.36 -45.63 90.89 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.075 177.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.78 -47.06 70.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.979 -178.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.547 ' HG2' ' O ' ' A' ' 40' ' ' ILE . 6.3 mm-40 -58.99 -47.24 85.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.646 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.505 ' HG2' HD13 ' A' ' 78' ' ' ILE . 13.6 mmtm -65.69 -37.15 85.66 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.407 -179.344 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 27.6 tp60 -60.82 -41.72 96.3 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 177.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -68.78 -47.42 55.68 Favored Glycine 0 N--CA 1.444 -0.794 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.993 176.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.531 HG13 ' HE2' ' A' ' 52' ' ' LYS . 62.9 t -53.86 -42.4 52.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.767 0.283 . . . . 0.0 111.188 179.762 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -65.93 -46.76 77.06 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 121.085 -0.246 . . . . 0.0 111.309 -178.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.672 HG21 ' HG ' ' A' ' 7' ' ' LEU . 28.8 m -70.46 -32.56 50.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 120.859 -0.336 . . . . 0.0 111.417 -179.327 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.458 ' CD1' HD21 ' A' ' 7' ' ' LEU . 31.3 m-85 -64.93 -42.93 94.25 Favored 'General case' 0 CA--C 1.522 -0.129 0 CA-C-O 120.766 0.317 . . . . 0.0 110.355 174.277 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.531 ' HE2' HG13 ' A' ' 48' ' ' VAL . 43.9 mtmt -59.24 -42.27 90.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.02 177.235 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -59.66 -46.88 87.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.558 179.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.16 -33.09 67.44 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.937 -178.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.26 -47.69 84.88 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -175.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -86.33 7.94 23.49 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.872 0.367 . . . . 0.0 111.774 -176.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 39.1 tttm -139.65 23.5 2.47 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.234 0.54 . . . . 0.0 109.736 -179.091 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.24 155.6 40.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.771 -0.65 . . . . 0.0 112.12 -174.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 62.8 mtt180 -93.56 -4.02 51.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.867 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -153.46 116.79 2.73 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.564 -178.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -56.83 -44.26 46.62 Favored 'Trans proline' 0 CA--C 1.531 0.341 0 C-N-CA 123.159 2.573 . . . . 0.0 113.241 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -60.73 -43.37 97.96 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 120.687 0.28 . . . . 0.0 111.356 -179.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.451 ' O ' ' HB ' ' A' ' 66' ' ' VAL . 50.2 tptt -73.45 -28.7 62.1 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.224 179.272 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.08 -37.58 86.15 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.45 176.507 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.533 ' O ' ' HG3' ' A' ' 69' ' ' LYS . 55.6 tt0 -59.92 -31.74 70.12 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 121.01 0.433 . . . . 0.0 110.2 178.405 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.525 ' CG1' ' HB3' ' A' ' 110' ' ' GLU . 83.1 t -59.23 -48.54 86.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.529 170.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 64.3 mt -61.85 -40.8 88.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.99 178.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -55.79 -44.42 77.74 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-O 120.767 0.318 . . . . 0.0 110.942 178.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.533 ' HG3' ' O ' ' A' ' 65' ' ' GLN . 48.1 mttp -64.73 -45.57 85.93 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.909 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.436 ' O ' ' HB2' ' A' ' 74' ' ' GLU . 1.7 mp -66.25 -39.52 84.49 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.381 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.405 179.408 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -59.88 -49.5 77.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.357 -179.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -66.34 -43.51 85.86 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.213 0.53 . . . . 0.0 110.351 -179.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -62.75 -44.94 94.89 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.634 179.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.436 ' HB2' ' O ' ' A' ' 70' ' ' ILE . 4.9 tp10 -66.23 -39.13 89.34 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.344 -176.761 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.494 ' OE1' ' HA ' ' A' ' 75' ' ' GLU . 0.4 OUTLIER -64.39 -34.68 78.72 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 121.039 0.447 . . . . 0.0 110.39 175.218 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.58 -33.35 75.7 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.927 177.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 64.6 m170 -59.84 -44.65 93.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.257 0.551 . . . . 0.0 109.843 174.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.505 HD13 ' HG2' ' A' ' 45' ' ' LYS . 64.9 mt -66.3 -37.52 79.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.692 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -55.26 -43.1 74.37 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.059 0.457 . . . . 0.0 109.952 174.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.683 ' CZ2' HD11 ' A' ' 96' ' ' LEU . 15.6 t-105 -69.57 -58.29 4.13 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.422 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 26.6 m-70 -58.47 -34.19 70.59 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -172.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 25.3 ttpp -72.74 -39.92 66.47 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.994 0.426 . . . . 0.0 110.432 -179.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.69 -30.22 65.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.112 0.482 . . . . 0.0 110.638 176.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 115.443 -0.799 . . . . 0.0 112.159 -178.411 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.148 0 CA-C-O 120.487 0.184 . . . . 0.0 111.333 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -66.74 -50.64 62.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.876 0.37 . . . . 0.0 110.908 -174.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 25.9 mp0 -70.34 -42.83 71.36 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.316 0.579 . . . . 0.0 109.908 176.205 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.508 ' O ' HG21 ' A' ' 97' ' ' VAL . 72.1 t80 -55.05 -53.82 50.96 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.887 -1.051 . . . . 0.0 111.614 -176.707 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.69 -41.31 97.41 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.742 0.306 . . . . 0.0 111.496 -177.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 15.7 m -61.8 -39.69 92.61 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.355 0.598 . . . . 0.0 110.383 -179.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.683 HD11 ' CZ2' ' A' ' 80' ' ' TRP . 6.2 mt -72.78 -32.84 65.89 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.428 178.289 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.508 HG21 ' O ' ' A' ' 93' ' ' PHE . 79.5 t -64.56 -36.59 77.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.903 0.382 . . . . 0.0 110.881 175.688 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -59.02 -36.11 74.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.088 0.47 . . . . 0.0 110.893 177.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.595 HE21 ' HA ' ' A' ' 96' ' ' LEU . 47.9 mt-30 -73.86 -34.22 64.4 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.677 179.226 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 6.9 t-160 -60.89 -41.38 95.91 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 173.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 50.6 tp -58.45 -48.48 80.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.194 179.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -66.77 -35.36 79.91 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 121.051 0.453 . . . . 0.0 110.744 179.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -58.89 -47.9 83.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.216 178.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.432 ' O ' ' HB2' ' A' ' 107' ' ' HIS . 15.5 mm-40 -65.57 -23.75 66.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.253 -176.01 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.486 ' O ' ' HG3' ' A' ' 109' ' ' GLU . 78.2 mt-30 -64.61 -40.46 95.55 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.118 176.393 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.491 ' HA ' ' OE1' ' A' ' 109' ' ' GLU . 53.8 mtt180 -62.34 -35.8 80.23 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.155 0.503 . . . . 0.0 109.997 175.789 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.616 ' O ' HG12 ' A' ' 111' ' ' ILE . 16.1 m170 -60.13 -50.05 75.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.682 177.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.408 HG22 ' O ' ' A' ' 104' ' ' GLU . 59.1 t -58.83 -37.79 68.68 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.58 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.491 ' OE1' ' HA ' ' A' ' 106' ' ' ARG . 45.0 mt-10 -58.11 -48.32 80.54 Favored 'General case' 0 N--CA 1.461 0.118 0 CA-C-O 120.94 0.4 . . . . 0.0 110.58 179.576 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.525 ' HB3' ' CG1' ' A' ' 66' ' ' VAL . 21.5 mm-40 -71.45 -38.1 71.32 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.859 179.68 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.616 HG12 ' O ' ' A' ' 107' ' ' HIS . 46.7 mm -62.42 -65.74 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.965 -179.216 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 . . . . . 0 N--CA 1.447 -0.614 0 CA-C-O 121.188 0.518 . . . . 0.0 111.345 -176.199 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.622 ' HB3' ' HE1' ' A' ' 51' ' ' TYR . 75.7 mt . . . . . 0 N--CA 1.47 0.543 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.442 ' O ' ' HG2' ' A' ' 12' ' ' GLN . 82.9 mt -58.91 -29.12 66.82 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.735 -179.132 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -57.22 -34.59 68.72 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.974 -172.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.34 -48.87 73.9 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.973 -0.291 . . . . 0.0 111.342 -176.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -70.43 -39.58 74.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.618 178.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.442 ' HG2' ' O ' ' A' ' 8' ' ' LEU . 31.8 mm-40 -62.08 -46.03 90.9 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.8 0.334 . . . . 0.0 110.599 179.014 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.435 ' O ' HG13 ' A' ' 17' ' ' ILE . 51.0 tp60 -65.99 -43.56 87.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.547 -178.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.644 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -58.58 -46.96 92.52 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.991 178.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.506 ' HA ' HD13 ' A' ' 18' ' ' LEU . 77.0 mt -64.06 -39.21 84.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.604 0.24 . . . . 0.0 110.668 178.186 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.413 ' HA ' ' CE ' ' A' ' 19' ' ' LYS . 12.2 tmtt? -58.01 -46.91 84.52 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 179.099 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.435 HG13 ' O ' ' A' ' 13' ' ' GLN . 67.9 mt -66.18 -33.58 64.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.763 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.644 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 97.7 mt -57.85 -39.46 77.77 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.078 177.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.471 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -65.7 -38.45 89.28 Favored 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 121.074 -0.25 . . . . 0.0 110.822 176.775 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.41 ' CD ' ' HZ2' ' A' ' 16' ' ' LYS . 5.7 mm-40 -62.5 -40.66 97.43 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.313 0.578 . . . . 0.0 110.1 -179.673 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.518 HG22 HD12 ' A' ' 40' ' ' ILE . 96.1 t -61.21 -45.62 98.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.856 178.19 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 97.4 mt -60.33 -38.0 82.39 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.83 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.471 ' HG3' ' O ' ' A' ' 19' ' ' LYS . 95.7 mttt -60.81 -48.65 80.83 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.792 179.078 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.802 ' HA ' ' HE3' ' A' ' 24' ' ' LYS . 1.1 tpmt? -71.69 -35.81 70.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.799 -175.483 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.451 ' HA ' HD12 ' A' ' 33' ' ' LEU . . . -60.7 -42.08 96.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.048 178.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -72.24 -20.29 61.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.392 179.095 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -82.43 -20.23 37.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.092 0.472 . . . . 0.0 110.009 174.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 77.68 25.6 62.47 Favored Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.858 -0.61 . . . . 0.0 112.626 178.054 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.493 ' HB3' ' HE2' ' A' ' 24' ' ' LYS . 18.6 t70 -101.41 125.92 48.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.868 0.365 . . . . 0.0 110.114 179.639 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -95.06 -9.81 32.66 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.359 -173.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -70.16 -51.69 29.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.211 -175.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.509 ' HB2' ' CD ' ' A' ' 24' ' ' LYS . 1.1 mp0 -71.44 -37.24 71.42 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.969 178.261 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.451 HD12 ' HA ' ' A' ' 25' ' ' ALA . 18.8 mt -56.19 -36.93 68.95 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -174.323 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.89 -45.12 83.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.144 0.497 . . . . 0.0 110.503 178.116 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 35' ' ' ARG . 23.5 ttt180 -70.2 -40.05 74.82 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.268 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.463 ' O ' HG13 ' A' ' 40' ' ' ILE . 94.2 mt -63.3 -42.44 99.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.857 0.361 . . . . 0.0 110.425 178.706 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -59.7 -38.95 83.0 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.13 176.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -70.15 -36.96 75.1 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.468 177.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -64.02 -36.21 83.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.044 0.45 . . . . 0.0 110.138 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.518 HD12 HG22 ' A' ' 21' ' ' VAL . 79.1 mt -60.17 -47.3 92.62 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.133 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.71 177.554 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.418 HG11 HG23 ' A' ' 78' ' ' ILE . 57.7 t -54.67 -40.5 51.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.042 -179.287 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -63.18 -44.49 95.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.993 178.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.02 -46.3 68.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.448 -176.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.447 ' O ' HG21 ' A' ' 48' ' ' VAL . 8.0 mm-40 -58.87 -47.33 85.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.771 -179.465 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.452 ' HE2' HG22 ' A' ' 78' ' ' ILE . 62.0 mttm -69.87 -30.84 68.4 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.26 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.415 ' O ' HG22 ' A' ' 50' ' ' VAL . 58.9 tp60 -59.65 -42.89 93.81 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 177.05 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.1 -48.05 61.64 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.574 -0.822 . . . . 0.0 111.881 176.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.447 HG21 ' O ' ' A' ' 44' ' ' GLU . 77.6 t -55.24 -48.79 76.08 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 CA-C-O 120.822 0.344 . . . . 0.0 111.585 -179.119 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -57.0 -49.41 75.86 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.38 -177.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.415 HG22 ' O ' ' A' ' 46' ' ' GLN . 28.1 t -70.32 -37.84 72.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.885 0.374 . . . . 0.0 110.95 -179.522 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.622 ' HE1' ' HB3' ' A' ' 7' ' ' LEU . 10.3 m-30 -63.0 -44.27 96.49 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.503 -179.067 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.462 ' HB2' HD11 ' A' ' 71' ' ' LEU . 34.4 ttpt -62.92 -35.7 80.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.751 0.31 . . . . 0.0 110.794 -177.356 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.8 tm-20 -60.41 -48.83 80.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.601 179.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.05 -37.92 66.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.782 -0.645 . . . . 0.0 112.167 -179.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.71 -44.73 86.13 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 112.014 0.375 . . . . 0.0 112.014 -175.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -83.24 3.45 31.11 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.969 0.414 . . . . 0.0 110.859 -178.33 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -116.28 -22.23 8.95 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.102 -172.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -75.22 144.23 42.73 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.026 -179.214 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 45.3 mtm-85 -93.34 -1.29 56.11 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.798 -179.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.486 ' HB2' ' HB3' ' A' ' 63' ' ' LYS . 17.2 m120 -101.2 113.99 65.79 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.726 -176.133 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_exo -57.59 -48.39 17.35 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 123.189 2.593 . . . . 0.0 113.142 -177.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.24 -38.56 75.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.88 0.372 . . . . 0.0 110.616 -176.779 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.486 ' HB3' ' HB2' ' A' ' 60' ' ' ASN . 87.4 tttt -64.42 -36.2 83.38 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.876 177.773 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 43.2 ttt-85 -67.99 -41.26 82.58 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.478 176.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 23.3 tm0? -56.48 -44.05 80.23 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 -179.1 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 88.7 t -58.82 -47.72 88.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.084 0.469 . . . . 0.0 110.317 178.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 68.8 mt -64.48 -46.99 91.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.914 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -59.19 -44.41 92.21 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.624 -178.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -61.02 -45.37 95.09 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.99 -179.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.425 HD12 HD11 ' A' ' 111' ' ' ILE . 83.7 mt -68.84 -41.55 82.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.662 179.727 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.462 HD11 ' HB2' ' A' ' 52' ' ' LYS . 6.5 tt -58.04 -44.51 87.44 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.375 178.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -64.44 -42.24 96.09 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.659 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.448 ' HB3' ' CE1' ' A' ' 107' ' ' HIS . 18.6 t0 -67.89 -41.53 82.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.409 0.623 . . . . 0.0 110.649 -178.307 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.442 ' OE1' ' HA ' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -60.8 -41.8 96.36 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.581 -174.295 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.499 ' HA ' HD12 ' A' ' 78' ' ' ILE . 49.6 mm-40 -68.3 -34.43 76.12 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 120.776 0.322 . . . . 0.0 110.644 175.692 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.425 ' HB3' ' O ' ' A' ' 73' ' ' ASP . 64.1 tttm -59.2 -37.07 76.53 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.393 177.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 57.3 m170 -66.12 -46.35 77.87 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.575 0.702 . . . . 0.0 110.287 176.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.499 HD12 ' HA ' ' A' ' 75' ' ' GLU . 75.6 mt -59.59 -37.22 69.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 114.872 -1.058 . . . . 0.0 111.522 -178.312 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -55.16 -41.04 71.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.376 178.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 38.7 t-105 -71.25 -54.29 11.4 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 179.248 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 80.1 m-70 -59.37 -32.09 69.82 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 -178.016 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -61.62 -42.77 99.35 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.845 0.355 . . . . 0.0 110.705 177.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.84 -28.56 64.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.946 0.403 . . . . 0.0 110.894 179.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.424 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.192 179.943 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.389 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -64.42 -49.08 72.94 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -169.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -70.76 -49.69 44.02 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.618 0.723 . . . . 0.0 110.468 177.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.453 ' O ' HG21 ' A' ' 97' ' ' VAL . 63.5 t80 -60.19 -37.93 81.72 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.58 -1.191 . . . . 0.0 112.303 -171.53 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.23 -41.47 79.56 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 -178.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 10.4 t -69.27 -30.68 68.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.01 0.433 . . . . 0.0 110.681 -176.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -72.55 -36.94 68.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.127 179.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.453 HG21 ' O ' ' A' ' 93' ' ' PHE . 54.9 t -63.99 -36.67 77.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.087 0.47 . . . . 0.0 110.523 178.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 65.0 mt-30 -61.35 -40.36 94.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.619 178.104 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -63.53 -41.69 98.46 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.311 178.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -59.08 -44.31 91.88 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.001 177.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.512 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 1.4 tt -64.31 -43.33 95.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.567 -177.472 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -61.15 -35.94 78.45 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.388 0.613 . . . . 0.0 110.53 178.253 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -68.12 -47.3 68.51 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 114.944 -1.025 . . . . 0.0 111.011 -178.22 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -64.85 -28.63 69.69 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.521 -177.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.512 ' HG3' ' O ' ' A' ' 101' ' ' LEU . 79.8 mt-30 -60.87 -36.27 78.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.732 0.301 . . . . 0.0 110.555 179.701 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.12 -40.01 95.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.339 177.545 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.614 ' O ' HG13 ' A' ' 111' ' ' ILE . 64.8 m170 -60.81 -49.94 75.44 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.206 177.696 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 95.9 t -59.55 -40.6 82.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.7 -177.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.51 ' HG3' ' O ' ' A' ' 105' ' ' GLN . 49.3 mt-10 -62.0 -38.06 87.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.746 0.308 . . . . 0.0 111.166 -178.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -72.06 -29.19 63.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.633 178.029 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.614 HG13 ' O ' ' A' ' 107' ' ' HIS . 23.1 mt -86.11 -64.49 1.06 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.331 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 -177.813 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 . . . . . 0 N--CA 1.464 0.263 0 N-CA-C 112.638 0.606 . . . . 0.0 112.638 -169.765 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.46 HD23 ' CD1' ' A' ' 51' ' ' TYR . 85.1 mt . . . . . 0 N--CA 1.465 0.312 0 N-CA-C 111.75 0.278 . . . . 0.0 111.75 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.432 HD21 HG12 ' A' ' 108' ' ' VAL . 0.9 OUTLIER -71.74 -41.95 67.86 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.849 -174.071 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.6 ttmm -61.33 -32.94 72.82 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.228 -177.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.84 -46.53 84.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.961 179.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.432 ' HG2' ' OH ' ' A' ' 51' ' ' TYR . 5.5 mm-40 -63.89 -47.31 81.14 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.734 177.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -62.82 -32.99 74.29 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.405 -178.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.414 ' O ' HG13 ' A' ' 17' ' ' ILE . 46.6 tt0 -65.69 -45.15 83.89 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 176.42 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.64 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -62.27 -46.87 93.02 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.498 -0.858 . . . . 0.0 111.59 175.388 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.423 HG13 ' O ' ' A' ' 11' ' ' GLU . 77.0 mt -60.08 -43.75 93.49 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 C-N-CA 122.525 0.33 . . . . 0.0 110.974 178.749 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 57.0 tptt -54.55 -47.38 73.28 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.601 178.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.512 ' O ' HG22 ' A' ' 21' ' ' VAL . 56.1 mt -68.61 -42.87 83.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.85 179.339 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.64 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 96.1 mt -57.54 -39.78 77.36 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.874 0.368 . . . . 0.0 110.97 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -67.15 -34.1 76.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.271 178.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.1 -36.23 77.32 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.964 0.411 . . . . 0.0 110.371 175.508 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.512 HG22 ' O ' ' A' ' 17' ' ' ILE . 82.4 t -59.92 -37.41 71.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.95 178.367 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 98.1 mt -54.97 -46.15 75.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.846 -177.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.512 ' NZ ' ' HB3' ' A' ' 23' ' ' LYS . 8.1 mtpm? -69.11 -43.58 74.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.012 0.434 . . . . 0.0 110.944 178.4 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.506 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . 64.6 mttm -71.81 -21.15 61.74 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.583 -175.333 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.67 -34.9 70.08 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 172.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -71.73 -27.46 63.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.404 175.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.506 ' HG2' ' HA ' ' A' ' 24' ' ' LYS . 23.4 mm-40 -64.85 -40.25 94.86 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.565 174.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 81.54 32.81 29.67 Favored Glycine 0 N--CA 1.448 -0.548 0 CA-C-N 115.742 -0.663 . . . . 0.0 112.506 176.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -105.52 119.93 40.34 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.145 0.497 . . . . 0.0 110.402 177.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -77.02 -32.25 56.93 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.971 -174.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -67.87 -40.12 83.65 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.321 0.581 . . . . 0.0 109.711 178.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.428 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 35.5 tp10 -60.97 -48.37 82.12 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.032 174.14 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 32.6 mt -57.43 -42.69 82.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.394 -0.821 . . . . 0.0 112.122 -179.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.35 -39.97 94.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.876 0.37 . . . . 0.0 111.313 -179.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.438 HH11 ' HD2' ' A' ' 35' ' ' ARG . 17.6 ttm105 -65.6 -40.63 92.89 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.4 179.215 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.467 ' O ' HG13 ' A' ' 40' ' ' ILE . 91.6 mt -63.56 -45.61 89.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.269 -179.096 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -56.4 -42.33 77.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.787 -176.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.502 ' O ' ' HG2' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -55.76 -48.91 74.47 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.305 179.919 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -65.73 -31.86 73.09 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.394 -178.087 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' ' 36' ' ' LEU . 71.5 mt -66.02 -46.78 87.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.51 179.062 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.9 t -57.84 -41.0 78.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.364 179.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.502 ' HG2' ' O ' ' A' ' 38' ' ' GLN . 30.1 mmmt -60.34 -42.72 96.25 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.699 178.377 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.75 -46.68 65.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.205 -177.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.471 ' O ' HG21 ' A' ' 48' ' ' VAL . 13.3 mm-40 -59.71 -44.98 93.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.97 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.465 ' HD3' ' HA ' ' A' ' 45' ' ' LYS . 61.6 mmtt -67.95 -31.92 72.0 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.654 -0.248 . . . . 0.0 111.53 179.754 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 54.9 tp60 -60.15 -43.4 95.79 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 173.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.29 -46.75 93.27 Favored Glycine 0 N--CA 1.446 -0.638 0 CA-C-N 115.277 -0.874 . . . . 0.0 112.01 175.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.471 HG21 ' O ' ' A' ' 44' ' ' GLU . 93.0 t -54.34 -42.02 55.75 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-O 120.694 0.283 . . . . 0.0 111.277 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -59.98 -51.46 69.59 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.112 -179.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 29.0 m -70.49 -30.43 42.71 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.505 -178.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.46 ' CD1' HD23 ' A' ' 7' ' ' LEU . 14.9 m-85 -69.6 -38.07 77.16 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 116.898 -0.137 . . . . 0.0 111.17 178.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -70.02 -37.6 75.66 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 176.424 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -63.21 -37.89 89.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.966 176.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.89 -42.3 66.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.039 177.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.93 -39.61 90.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.775 0.322 . . . . 0.0 111.322 -179.417 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -82.48 -0.29 45.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.194 178.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -116.73 5.5 13.14 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.267 0.556 . . . . 0.0 109.544 177.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.7 148.4 48.05 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.48 -174.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.405 ' O ' ' HB2' ' A' ' 60' ' ' ASN . 63.6 mtt180 -108.99 118.64 37.33 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.35 177.736 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.405 ' HB2' ' O ' ' A' ' 59' ' ' ARG . 48.4 m-80 73.43 138.0 0.06 OUTLIER Pre-proline 0 N--CA 1.468 0.425 0 O-C-N 123.806 0.691 . . . . 0.0 110.586 -176.226 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_endo -56.54 -31.4 86.32 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 123.31 2.673 . . . . 0.0 113.287 -175.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -61.94 -42.26 98.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.883 0.373 . . . . 0.0 111.383 -177.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -70.63 -35.4 72.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.887 0.375 . . . . 0.0 110.069 -178.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 64' ' ' ARG . 26.4 ttt85 -66.62 -37.73 85.47 Favored 'General case' 0 C--O 1.221 -0.423 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.327 177.319 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -55.87 -41.06 73.83 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 122.651 0.381 . . . . 0.0 110.843 179.806 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 96.8 t -62.37 -50.46 79.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.066 177.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 59.9 mt -67.13 -38.31 80.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -57.22 -44.55 83.85 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.826 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.426 ' C ' ' HD3' ' A' ' 69' ' ' LYS . 14.0 tmtt? -59.72 -42.92 94.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.533 178.674 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.479 ' O ' ' HG2' ' A' ' 74' ' ' GLU . 65.3 mt -64.75 -45.18 95.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.664 -179.564 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.0 tt -61.05 -48.91 79.58 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.222 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -61.07 -36.08 78.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.925 178.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -66.0 -45.65 80.8 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.676 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.493 ' O ' HG13 ' A' ' 78' ' ' ILE . 69.0 mm-40 -60.81 -39.43 88.93 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.45 -177.647 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.413 ' HA ' ' OE1' ' A' ' 75' ' ' GLU . 41.0 mm-40 -61.86 -35.23 77.68 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 120.848 0.356 . . . . 0.0 110.943 178.332 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.0 tmmt? -68.28 -33.62 74.69 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.02 177.019 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.546 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 53.2 m170 -65.14 -49.25 70.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.378 0.609 . . . . 0.0 110.115 177.335 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.618 ' O ' ' HG3' ' A' ' 82' ' ' LYS . 51.5 mt -63.01 -38.66 82.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.395 -178.204 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -56.94 -39.84 75.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.47 179.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.567 ' HZ2' ' HA ' ' A' ' 93' ' ' PHE . 16.9 t-105 -64.69 -52.35 57.7 Favored 'General case' 0 N--CA 1.457 -0.119 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.462 175.654 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 60.2 m-70 -56.72 -33.04 66.11 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.481 0.548 . . . . 0.0 112.481 -175.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.618 ' HG3' ' O ' ' A' ' 78' ' ' ILE . 80.4 mttt -61.87 -48.36 80.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.26 0.552 . . . . 0.0 110.316 177.212 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.71 -31.8 67.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.46 -177.248 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.434 0 CA-C-N 115.398 -0.819 . . . . 0.0 112.751 -174.337 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.353 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -65.73 -41.36 92.3 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.646 -174.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -63.04 -35.2 79.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.66 0.743 . . . . 0.0 109.73 -179.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.567 ' HA ' ' HZ2' ' A' ' 80' ' ' TRP . 71.2 t80 -71.42 -50.72 29.07 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.937 -1.028 . . . . 0.0 110.316 178.086 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.15 -44.33 92.1 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.765 -177.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 23.1 t -59.3 -44.36 92.53 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.953 0.406 . . . . 0.0 110.863 -179.294 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 8.5 mp -72.82 -32.12 65.28 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.516 179.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.496 HG22 ' O ' ' A' ' 93' ' ' PHE . 49.0 t -61.6 -37.42 77.87 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 175.056 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -58.27 -38.79 77.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.841 0.353 . . . . 0.0 110.764 175.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -67.97 -41.58 82.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.096 179.052 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.546 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 9.4 t-160 -60.35 -43.14 96.77 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.769 176.383 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.434 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 50.9 tp -58.85 -48.5 81.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.111 179.616 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.536 ' O ' ' HD3' ' A' ' 106' ' ' ARG . 32.1 mm-40 -65.32 -39.51 92.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.164 0.507 . . . . 0.0 110.463 178.638 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -57.52 -49.21 77.08 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.09 -0.959 . . . . 0.0 111.008 -178.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -68.2 -32.63 72.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.465 -177.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.46 ' O ' ' HG3' ' A' ' 109' ' ' GLU . 79.6 mt-30 -61.67 -41.65 97.84 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.395 178.75 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.536 ' HD3' ' O ' ' A' ' 102' ' ' GLN . 3.4 mpt_? -66.43 -32.51 73.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.475 178.65 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 41.1 m170 -63.46 -46.41 86.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.445 174.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.432 HG12 HD21 ' A' ' 8' ' ' LEU . 79.2 t -62.44 -41.74 92.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.783 178.3 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.46 ' HG3' ' O ' ' A' ' 105' ' ' GLN . 47.5 mt-10 -59.13 -33.4 70.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.567 178.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -69.34 -48.1 62.39 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.901 0.381 . . . . 0.0 110.597 177.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 47.5 mm -72.41 -47.93 49.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.641 -175.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 . . . . . 0 C--N 1.324 -0.52 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.537 -176.821 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 78.6 mt . . . . . 0 C--O 1.235 0.291 0 N-CA-C 111.642 0.238 . . . . 0.0 111.642 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 84.3 mt -60.04 -36.69 77.85 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.998 0.428 . . . . 0.0 111.016 179.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.589 ' HA ' ' HE3' ' A' ' 9' ' ' LYS . 0.4 OUTLIER -61.76 -34.76 76.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.974 -0.557 . . . . 0.0 112.005 -174.543 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.77 -49.17 74.01 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 121.011 -0.276 . . . . 0.0 111.654 -174.203 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -70.31 -43.77 69.65 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.712 0.292 . . . . 0.0 110.711 178.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 73.4 mm-40 -58.57 -41.83 86.59 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.231 179.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.429 ' HB2' ' HE2' ' A' ' 9' ' ' LYS . 25.1 tt0 -69.4 -42.87 74.52 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.611 -178.44 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.551 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -58.88 -46.61 93.33 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.788 -0.72 . . . . 0.0 111.901 178.564 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.475 ' HA ' HD11 ' A' ' 18' ' ' LEU . 79.2 mt -60.93 -39.2 81.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.011 0.434 . . . . 0.0 110.871 177.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.7 tttm -64.93 -40.97 95.87 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.854 -177.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 65.3 mt -69.38 -36.46 72.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.528 178.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 97.0 mt -57.8 -36.98 72.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.979 178.27 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.464 ' HB3' ' HZ1' ' A' ' 19' ' ' LYS . 8.3 mtpm? -62.55 -37.26 85.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.156 179.615 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -66.55 -34.83 78.77 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.175 0.512 . . . . 0.0 110.334 179.031 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.483 HG21 HD11 ' A' ' 40' ' ' ILE . 58.8 t -64.35 -38.89 83.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.649 179.294 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 96.8 mt -61.13 -39.26 89.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.074 0.464 . . . . 0.0 110.589 177.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.5 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 92.7 mttt -65.59 -37.85 87.84 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.738 179.149 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 35.4 mmtm -83.15 -18.46 39.37 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.64 -177.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.44 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . . . -67.45 -39.38 85.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.833 178.454 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' A' ' 23' ' ' LYS . 65.2 pttt -71.96 -28.58 63.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.326 178.417 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -72.57 -33.38 66.73 Favored 'General case' 0 C--O 1.231 0.105 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 175.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 71.29 45.15 50.11 Favored Glycine 0 N--CA 1.448 -0.507 0 CA-C-N 115.771 -0.649 . . . . 0.0 113.614 171.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -126.42 130.18 50.2 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.013 174.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.534 ' HA ' ' HB2' ' A' ' 33' ' ' LEU . 42.1 tt0 -79.84 -18.95 49.53 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.798 -174.43 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -58.65 -48.3 81.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.021 0.438 . . . . 0.0 110.091 -178.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -72.93 -44.97 60.57 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.991 175.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.534 ' HB2' ' HA ' ' A' ' 30' ' ' GLU . 47.4 mt -57.19 -45.17 83.98 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.046 -0.524 . . . . 0.0 112.038 -176.102 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.53 -45.49 93.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.653 -0.249 . . . . 0.0 111.277 -177.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -66.44 -44.32 83.16 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.837 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.52 ' O ' HG13 ' A' ' 40' ' ' ILE . 92.3 mt -60.01 -42.3 94.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.187 177.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.413 ' O ' HG21 ' A' ' 41' ' ' VAL . 65.0 t30 -61.36 -40.77 95.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.059 177.573 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.828 ' HA ' HE21 ' A' ' 38' ' ' GLN . 0.0 OUTLIER -63.36 -38.77 92.43 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.444 178.23 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -65.04 -36.83 85.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.64 176.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.52 HG13 ' O ' ' A' ' 36' ' ' LEU . 82.1 mt -62.27 -47.31 93.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.474 177.362 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.413 HG21 ' O ' ' A' ' 37' ' ' ASN . 92.8 t -53.46 -53.09 26.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.327 179.194 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.423 ' HB3' ' HE2' ' A' ' 42' ' ' LYS . 48.2 mtpt -63.97 -39.44 94.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.771 -179.512 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.45 -46.5 79.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.359 -178.093 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.449 ' O ' HG21 ' A' ' 48' ' ' VAL . 36.4 mt-10 -69.69 -38.83 77.13 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.005 -178.308 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.445 ' HE2' HG23 ' A' ' 78' ' ' ILE . 59.2 mttm -66.12 -32.74 74.38 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 121.063 -0.255 . . . . 0.0 111.232 177.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 53.1 tp60 -63.61 -39.83 95.36 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 174.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.82 -44.99 93.93 Favored Glycine 0 N--CA 1.447 -0.596 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.398 174.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.449 HG21 ' O ' ' A' ' 44' ' ' GLU . 78.6 t -55.53 -39.86 56.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.708 0.29 . . . . 0.0 110.832 176.772 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.5 tmtt? -63.09 -49.52 74.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.674 -179.305 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 16.1 m -69.6 -32.69 53.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 C-N-CA 120.756 -0.378 . . . . 0.0 111.356 -179.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -67.56 -42.98 81.74 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.989 -0.284 . . . . 0.0 110.434 176.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.568 ' HA ' ' HE2' ' A' ' 52' ' ' LYS . 0.7 OUTLIER -59.55 -43.53 93.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.895 0.379 . . . . 0.0 111.105 176.393 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -67.04 -48.5 68.14 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.926 -178.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.0 -34.92 73.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.994 -176.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.58 -48.28 78.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.838 0.351 . . . . 0.0 111.498 -177.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -72.25 -21.94 61.31 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.124 -177.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -96.6 0.37 49.84 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.395 178.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.1 127.67 33.34 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.731 -179.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -78.4 -23.28 46.83 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.234 -179.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -105.36 117.79 57.39 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-O 120.804 0.335 . . . . 0.0 110.79 179.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -64.56 -34.68 51.57 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 123.211 2.607 . . . . 0.0 113.299 -178.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -60.66 -43.57 97.47 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.116 0.484 . . . . 0.0 110.048 -179.187 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 1.034 ' HA ' ' HE3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -71.18 -32.51 68.97 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.493 179.295 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -63.91 -40.31 96.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.615 178.109 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -39.33 84.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.517 178.43 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 85.9 t -62.95 -45.04 99.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.499 176.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 65.6 mt -65.33 -38.21 82.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.491 178.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -61.59 -40.3 94.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.719 177.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -59.44 -45.11 92.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.788 176.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.451 ' O ' ' HB2' ' A' ' 74' ' ' GLU . 69.9 mt -70.4 -41.74 78.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.52 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.417 HD21 ' HG2' ' A' ' 52' ' ' LYS . 1.4 tm? -55.76 -48.67 74.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.521 179.498 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.81 -40.98 97.92 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.545 -178.298 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.425 ' HB3' ' HE1' ' A' ' 107' ' ' HIS . 24.7 t0 -72.17 -42.89 65.36 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.118 -177.646 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.451 ' HB2' ' O ' ' A' ' 70' ' ' ILE . 1.7 tp10 -63.56 -41.31 98.41 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.636 -169.472 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.473 ' HA ' HD12 ' A' ' 78' ' ' ILE . 22.0 mm-40 -64.07 -35.48 80.89 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.877 0.37 . . . . 0.0 110.726 176.022 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -64.18 -33.11 75.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.372 179.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.584 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 64.6 m170 -62.31 -48.08 81.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.327 0.584 . . . . 0.0 110.134 176.353 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.473 HD12 ' HA ' ' A' ' 75' ' ' GLU . 52.7 mt -59.82 -48.85 86.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 114.802 -1.09 . . . . 0.0 110.701 -179.222 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -63.53 -32.97 74.59 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.61 177.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 4.3 t-105 -67.89 -49.06 64.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.505 -179.04 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -58.98 -36.74 75.37 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.686 177.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -69.3 -43.18 74.33 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.09 0.471 . . . . 0.0 110.49 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.63 -27.14 62.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.852 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 115.975 -0.557 . . . . 0.0 112.275 -175.745 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.592 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -65.52 -37.09 85.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.983 0.421 . . . . 0.0 111.252 -177.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -68.1 -42.26 80.57 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.51 -178.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -61.92 -42.39 99.04 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.23 175.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.44 ' HB3' ' HB2' ' A' ' 25' ' ' ALA . . . -58.22 -36.95 73.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.549 175.372 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 37.6 m -65.06 -35.99 82.92 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.66 179.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 9.8 mp -67.72 -33.84 75.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.427 176.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 61.5 t -65.31 -39.63 85.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.02 175.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.438 ' HG3' ' O ' ' A' ' 94' ' ' ALA . 52.1 mt-30 -64.03 -36.13 83.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.95 0.405 . . . . 0.0 110.421 177.485 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -63.39 -41.85 98.78 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.04 174.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.584 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 3.1 t-160 -60.05 -42.26 94.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.223 177.475 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.492 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 3.0 mm? -57.56 -49.55 75.99 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.593 -179.747 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 86.9 mm-40 -64.28 -36.34 83.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.41 0.624 . . . . 0.0 110.501 -178.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -65.52 -47.24 76.64 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.794 -179.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.411 ' O ' HG22 ' A' ' 108' ' ' VAL . 14.5 mm-40 -70.95 -30.77 67.16 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.102 -178.576 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.564 ' O ' ' HG3' ' A' ' 109' ' ' GLU . 95.0 mt-30 -61.11 -36.28 79.3 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.971 0.415 . . . . 0.0 110.194 177.133 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 -67.5 -39.28 85.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.527 176.012 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.649 ' O ' HG13 ' A' ' 111' ' ' ILE . 54.6 m170 -61.29 -45.62 93.72 Favored 'General case' 0 CA--C 1.521 -0.136 0 CA-C-O 121.077 0.465 . . . . 0.0 110.159 174.551 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.411 HG22 ' O ' ' A' ' 104' ' ' GLU . 50.9 t -56.56 -39.4 62.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.643 179.661 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.564 ' HG3' ' O ' ' A' ' 105' ' ' GLN . 49.9 mt-10 -64.74 -35.17 80.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.916 0.389 . . . . 0.0 111.055 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.98 -37.74 75.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.812 176.416 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.649 HG13 ' O ' ' A' ' 107' ' ' HIS . 15.2 mt -82.52 -69.73 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.624 -175.747 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 . . . . . 0 N--CA 1.451 -0.377 0 CA-C-O 121.933 0.873 . . . . 0.0 111.503 -173.397 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 49.2 mt . . . . . 0 C--O 1.231 0.084 0 CA-C-O 121.026 0.441 . . . . 0.0 110.645 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.739 HD11 HG11 ' A' ' 108' ' ' VAL . 50.7 tp -60.29 -34.71 74.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.45 -177.635 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm -64.11 -32.73 74.41 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.476 -178.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.46 -44.62 92.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.901 0.381 . . . . 0.0 110.832 178.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -64.59 -42.3 95.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.716 178.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 76.6 mm-40 -65.48 -36.73 84.73 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.113 178.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.47 ' O ' HG13 ' A' ' 17' ' ' ILE . 24.6 tp60 -61.93 -44.36 96.93 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 177.048 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.534 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -59.5 -46.22 94.29 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.645 -0.788 . . . . 0.0 111.919 176.095 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.428 HG21 HD12 ' A' ' 101' ' ' LEU . 85.9 mt -57.14 -44.94 84.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.907 0.384 . . . . 0.0 111.154 177.755 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -60.16 -44.91 94.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.712 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 13' ' ' GLN . 59.6 mt -68.95 -36.11 72.41 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.729 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.534 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 80.9 mt -57.32 -40.09 77.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.194 179.543 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -66.76 -35.21 79.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.231 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -72.68 -34.79 67.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.574 -0.284 . . . . 0.0 110.509 177.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.461 HG23 HD13 ' A' ' 40' ' ' ILE . 70.5 t -64.12 -40.83 90.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.608 176.262 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 87.3 mt -55.42 -39.11 69.83 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-O 121.057 0.456 . . . . 0.0 110.586 176.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.544 ' O ' ' HG3' ' A' ' 27' ' ' GLU . 95.6 mttt -66.95 -46.97 73.07 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.466 178.381 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.692 ' HE2' ' HG2' ' A' ' 32' ' ' GLU . 38.2 mmtm -68.98 -31.79 70.89 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.349 -0.387 . . . . 0.0 112.015 -177.111 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.66 -35.34 72.8 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.036 0.446 . . . . 0.0 110.217 175.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -70.76 -38.16 73.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.648 176.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.544 ' HG3' ' O ' ' A' ' 23' ' ' LYS . 43.8 mt-10 -69.46 -37.96 77.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.728 177.618 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 88.22 30.73 15.93 Favored Glycine 0 N--CA 1.445 -0.7 0 C-N-CA 121.062 -0.59 . . . . 0.0 112.084 179.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.691 ' O ' ' HB2' ' A' ' 33' ' ' LEU . 20.1 t70 -100.55 109.24 21.32 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 179.617 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -77.69 -20.78 53.05 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.512 -174.017 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -69.81 -50.64 40.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.646 0.26 . . . . 0.0 110.999 -176.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.692 ' HG2' ' HE2' ' A' ' 24' ' ' LYS . 5.6 tp10 -73.97 -38.49 64.16 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.985 0.421 . . . . 0.0 109.884 176.567 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.691 ' HB2' ' O ' ' A' ' 29' ' ' ASP . 0.8 OUTLIER -58.75 -46.23 87.91 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.996 -176.278 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.23 -45.08 93.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.788 0.328 . . . . 0.0 110.528 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -59.07 -47.93 83.44 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.033 177.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.484 ' O ' HG13 ' A' ' 40' ' ' ILE . 81.0 mt -63.04 -44.56 95.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.559 178.579 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -56.45 -46.66 80.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.123 176.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.556 ' HA ' ' OE1' ' A' ' 38' ' ' GLN . 7.4 mm-40 -59.8 -44.84 93.76 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 115.296 -0.865 . . . . 0.0 111.423 178.035 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -64.67 -35.08 79.89 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.404 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.484 HG13 ' O ' ' A' ' 36' ' ' LEU . 63.6 mt -62.65 -49.55 83.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.619 0.247 . . . . 0.0 110.476 177.523 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.608 HG13 HG21 ' A' ' 78' ' ' ILE . 84.4 t -54.63 -44.78 71.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.997 0.427 . . . . 0.0 110.676 178.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.6 mtpm? -63.42 -40.53 97.42 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.352 179.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.55 -46.3 66.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.181 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.46 ' O ' HG21 ' A' ' 48' ' ' VAL . 5.3 mm-40 -57.74 -47.08 83.46 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.761 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.472 ' HE2' HG23 ' A' ' 78' ' ' ILE . 56.6 mttm -69.97 -32.35 70.53 Favored 'General case' 0 CA--C 1.52 -0.197 0 N-CA-C 111.968 0.359 . . . . 0.0 111.968 -179.015 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 48.2 tp60 -64.61 -38.39 90.84 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 175.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -65.3 -47.06 83.91 Favored Glycine 0 N--CA 1.447 -0.608 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.448 174.042 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.46 HG21 ' O ' ' A' ' 44' ' ' GLU . 73.6 t -54.12 -41.85 52.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.008 0.432 . . . . 0.0 110.358 176.56 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -59.15 -51.49 69.78 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.326 -178.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 8.0 m -71.9 -32.0 42.84 Favored 'Isoleucine or valine' 0 C--O 1.237 0.418 0 N-CA-C 112.254 0.465 . . . . 0.0 112.254 -178.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -69.84 -51.23 35.27 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.498 0.19 . . . . 0.0 111.099 177.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -57.67 -36.56 72.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.158 -0.473 . . . . 0.0 109.999 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -56.9 -49.27 76.09 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.481 176.323 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.84 -35.62 64.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.883 -178.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.06 -46.12 79.05 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -173.055 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -81.27 -4.28 55.08 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.735 0.303 . . . . 0.0 111.595 -175.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 39.0 mtmt -118.32 17.92 13.78 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.135 0.493 . . . . 0.0 110.603 177.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -84.06 130.95 34.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.488 177.192 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 60.9 mtt180 -98.67 22.65 9.69 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.411 -176.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.403 ' O ' ' HB2' ' A' ' 64' ' ' ARG . 26.0 t-20 -141.18 118.06 7.6 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.197 176.735 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -63.35 -32.55 72.15 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.99 2.46 . . . . 0.0 113.343 -175.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -66.38 -43.88 84.67 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.104 0.478 . . . . 0.0 110.466 -176.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.403 ' O ' HG13 ' A' ' 67' ' ' ILE . 62.9 mttm -75.81 -33.71 60.13 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.215 176.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.403 ' HB2' ' O ' ' A' ' 60' ' ' ASN . 2.1 tmt_? -59.24 -43.42 92.4 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.359 -178.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -63.58 -42.18 98.32 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.028 179.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 91.8 t -59.52 -49.02 85.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.751 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 63' ' ' LYS . 63.1 mt -60.33 -40.9 85.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.973 -179.087 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -65.79 -44.24 86.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.662 -0.245 . . . . 0.0 111.327 -178.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -59.55 -44.64 93.19 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.715 0.293 . . . . 0.0 110.906 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.48 HG21 ' ND1' ' A' ' 107' ' ' HIS . 38.5 mt -68.74 -38.02 78.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.048 178.102 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.98 -49.47 73.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.35 179.129 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -67.59 -35.43 78.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.612 179.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.451 ' HB3' ' CE1' ' A' ' 107' ' ' HIS . 0.4 OUTLIER -63.26 -43.8 96.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.286 0.565 . . . . 0.0 110.296 178.593 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -62.49 -41.58 98.89 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.133 -0.939 . . . . 0.0 110.903 -174.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.55 ' HA ' HD12 ' A' ' 78' ' ' ILE . 55.7 mm-40 -66.73 -34.86 78.77 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.878 0.37 . . . . 0.0 110.888 174.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -60.63 -35.78 77.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.415 178.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.503 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 44.4 m170 -63.35 -47.92 80.14 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.752 0.786 . . . . 0.0 109.735 177.103 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.608 HG21 HG13 ' A' ' 41' ' ' VAL . 63.7 mt -60.19 -38.04 75.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 114.394 -1.276 . . . . 0.0 111.116 -178.711 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -55.79 -40.11 72.21 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.805 177.239 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.427 ' CZ2' HD23 ' A' ' 96' ' ' LEU . 19.3 t-105 -70.13 -54.86 11.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.921 177.534 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 49.8 m-70 -56.29 -41.28 75.64 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 111.793 0.294 . . . . 0.0 111.793 -177.245 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 46.6 tttm -63.99 -40.2 95.84 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.987 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -73.39 -33.34 64.96 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 178.338 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.513 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 -169.955 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 -0.117 0 CA-C-O 121.315 0.578 . . . . 0.0 110.071 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.421 ' CD ' ' H ' ' A' ' 92' ' ' GLN . 0.0 OUTLIER -62.06 -46.7 87.95 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.512 -179.893 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.421 ' H ' ' CD ' ' A' ' 91' ' ' GLU . 5.2 tp-100 -67.47 -45.68 75.23 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.388 0.613 . . . . 0.0 110.053 178.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.63 ' O ' HG21 ' A' ' 97' ' ' VAL . 51.5 t80 -57.07 -43.62 82.25 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.02 -0.991 . . . . 0.0 111.332 -177.58 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.64 -45.55 81.53 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 -175.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.581 ' O ' ' HG2' ' A' ' 98' ' ' GLN . 39.0 m -65.0 -35.92 82.74 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.426 -178.014 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.427 HD23 ' CZ2' ' A' ' 80' ' ' TRP . 10.7 mp -74.66 -32.63 62.31 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -179.122 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.63 HG21 ' O ' ' A' ' 93' ' ' PHE . 84.2 t -61.5 -35.07 64.49 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -175.174 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.581 ' HG2' ' O ' ' A' ' 95' ' ' SER . 3.9 pt20 -56.78 -32.06 65.26 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 116.773 -0.194 . . . . 0.0 111.295 -176.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -67.53 -41.34 84.51 Favored 'General case' 0 C--O 1.226 -0.176 0 CA-C-N 116.879 -0.146 . . . . 0.0 111.07 178.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.503 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 9.8 t-160 -61.45 -38.8 88.51 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 177.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.541 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 46.7 tp -58.86 -48.77 80.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.828 178.336 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -68.93 -37.06 78.66 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 121.084 0.468 . . . . 0.0 111.036 178.192 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -59.25 -49.29 78.4 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.51 -177.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.513 ' O ' HG23 ' A' ' 108' ' ' VAL . 20.8 mm-40 -66.44 -29.59 69.76 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.998 -0.281 . . . . 0.0 110.638 -178.228 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.541 ' HG3' ' O ' ' A' ' 101' ' ' LEU . 77.2 mt-30 -63.54 -36.49 83.95 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 174.613 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 27.8 mmt180 -72.76 -32.79 65.9 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.34 176.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.48 ' ND1' HG21 ' A' ' 70' ' ' ILE . 15.2 m170 -59.95 -44.93 94.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.442 0.639 . . . . 0.0 109.544 171.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.739 HG11 HD11 ' A' ' 8' ' ' LEU . 87.0 t -62.92 -36.56 76.17 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.322 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.054 176.734 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.507 ' HG2' ' O ' ' A' ' 105' ' ' GLN . 19.0 mm-40 -56.18 -35.06 66.82 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.081 0.467 . . . . 0.0 111.306 179.104 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -71.61 -35.14 70.38 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.337 178.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 25.8 mt -86.08 -48.94 15.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.153 0.501 . . . . 0.0 111.069 -176.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.42 ' O ' ' HG3' ' A' ' 112' ' ' GLU . 53.3 tp10 . . . . . 0 N--CA 1.446 -0.63 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.865 -176.075 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 89.8 mt . . . . . 0 C--O 1.233 0.214 0 CA-C-O 120.835 0.35 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.829 HD22 HG22 ' A' ' 111' ' ' ILE . 80.1 mt -66.3 -31.94 73.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.233 -176.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -60.13 -34.75 73.95 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.706 -178.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.467 ' HB1' ' HA2' ' A' ' 47' ' ' GLY . . . -71.92 -46.94 55.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.559 -178.14 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -63.09 -39.02 93.46 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.158 0.504 . . . . 0.0 109.701 177.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 77.1 mm-40 -65.41 -33.19 75.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.494 177.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 59.2 tp60 -64.27 -46.5 83.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.301 -179.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.538 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -59.4 -45.83 94.86 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.747 -0.739 . . . . 0.0 111.897 177.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.44 ' HA ' HD12 ' A' ' 18' ' ' LEU . 79.9 mt -58.37 -41.15 80.65 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-O 120.733 0.301 . . . . 0.0 110.961 178.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.523 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 57.5 tttm -64.65 -47.07 79.86 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 121.029 -0.269 . . . . 0.0 110.56 179.665 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.515 ' O ' HG23 ' A' ' 21' ' ' VAL . 65.7 mt -62.94 -34.17 64.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.558 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 83.6 mt -57.42 -42.64 82.77 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.03 0.443 . . . . 0.0 110.42 174.764 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.567 ' HZ3' ' HB3' ' A' ' 19' ' ' LYS . 8.7 mtpm? -67.02 -38.45 85.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.867 178.377 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.523 ' HG2' ' O ' ' A' ' 16' ' ' LYS . 53.8 mm-40 -62.82 -43.26 99.28 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 121.134 0.492 . . . . 0.0 109.859 178.201 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 17' ' ' ILE . 88.7 t -62.38 -40.79 89.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.122 -179.649 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.535 HD23 ' HB ' ' A' ' 97' ' ' VAL . 82.8 mt -55.11 -40.44 70.48 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.147 0.499 . . . . 0.0 111.144 179.528 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -66.87 -45.07 79.26 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.845 -178.224 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.406 ' HZ2' ' CD ' ' A' ' 27' ' ' GLU . 18.3 tppt? -77.41 -28.44 52.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.934 0.397 . . . . 0.0 111.246 -178.365 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.73 -32.03 73.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.517 178.051 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -71.5 -32.0 67.73 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 176.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.406 ' CD ' ' HZ2' ' A' ' 24' ' ' LYS . 46.9 mt-10 -65.65 -42.81 90.99 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.929 174.215 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 84.36 42.13 7.59 Favored Glycine 0 N--CA 1.449 -0.478 0 CA-C-N 115.735 -0.666 . . . . 0.0 112.636 176.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -91.75 111.21 22.64 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.021 -0.362 . . . . 0.0 110.021 178.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -61.7 -39.52 91.77 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.689 -177.179 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -68.95 -48.16 63.9 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.026 -173.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.456 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 42.2 mt-10 -71.55 -37.69 71.08 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.045 178.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.428 HD21 HD13 ' A' ' 36' ' ' LEU . 7.1 mt -58.78 -36.41 74.36 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 111.613 0.227 . . . . 0.0 111.613 179.183 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.91 -42.24 98.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.166 0.508 . . . . 0.0 110.387 177.245 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 23.0 ttm180 -71.29 -35.35 71.28 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.428 177.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 32' ' ' GLU . 81.1 mt -62.72 -39.83 95.26 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.64 -0.254 . . . . 0.0 110.827 176.361 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.437 ' O ' HG23 ' A' ' 41' ' ' VAL . 3.5 t-20 -57.43 -45.28 84.85 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 174.254 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.436 ' HA ' ' OE1' ' A' ' 38' ' ' GLN . 14.4 mm-40 -62.85 -44.6 95.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.991 176.175 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -61.71 -42.98 99.67 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.205 -177.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.425 HG13 ' O ' ' A' ' 36' ' ' LEU . 65.8 mt -59.62 -45.14 94.47 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-O 120.634 0.254 . . . . 0.0 110.468 179.029 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 37' ' ' ASN . 84.8 t -59.2 -46.33 92.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.268 179.129 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -64.11 -36.71 84.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.505 178.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.26 -48.2 57.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.323 -177.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.612 ' O ' HG22 ' A' ' 48' ' ' VAL . 7.8 mm-40 -62.83 -44.7 95.44 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.097 -0.502 . . . . 0.0 109.974 179.537 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.461 ' HD3' ' HA ' ' A' ' 45' ' ' LYS . 55.9 mmtt -60.28 -33.94 73.05 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.822 178.412 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 50.1 tp60 -60.75 -43.6 97.76 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 177.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.467 ' HA2' ' HB1' ' A' ' 10' ' ' ALA . . . -70.15 -46.39 50.91 Favored Glycine 0 N--CA 1.448 -0.553 0 CA-C-N 115.483 -0.78 . . . . 0.0 112.646 177.211 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.612 HG22 ' O ' ' A' ' 44' ' ' GLU . 48.7 t -59.53 -41.92 86.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 122.874 -0.192 . . . . 0.0 111.447 -176.812 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 48.7 tttp -56.64 -49.57 74.63 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.29 -176.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 24.3 m -70.65 -35.04 59.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -69.37 -36.68 77.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.506 0.193 . . . . 0.0 111.0 177.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -56.62 -43.17 79.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.712 0.291 . . . . 0.0 110.81 176.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -68.57 -45.99 70.62 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.469 176.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.7 -33.03 74.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.525 -0.761 . . . . 0.0 112.494 -174.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.53 -42.5 78.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.025 0.441 . . . . 0.0 111.728 -177.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -99.36 14.39 29.85 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.976 -178.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -127.78 15.65 6.94 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 174.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.52 141.92 53.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.921 -1.036 . . . . 0.0 111.467 -177.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 83.2 mtm180 -79.85 -25.29 40.8 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.897 -178.123 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.517 ' HB2' ' HG2' ' A' ' 63' ' ' LYS . 16.1 m120 -128.43 135.25 27.27 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.369 -177.228 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -57.7 -38.26 93.82 Favored 'Trans proline' 0 CA--C 1.53 0.306 0 C-N-CA 122.79 2.327 . . . . 0.0 112.611 178.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -64.49 -35.94 82.57 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 121.021 0.439 . . . . 0.0 110.6 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.517 ' HG2' ' HB2' ' A' ' 60' ' ' ASN . 72.8 mmtt -71.27 -33.73 70.03 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.406 -178.625 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 23.5 ttt180 -64.27 -39.32 93.69 Favored 'General case' 0 C--O 1.227 -0.12 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 175.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -55.44 -44.06 75.96 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.146 177.1 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 87.7 t -65.28 -50.89 70.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.875 177.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 63' ' ' LYS . 76.2 mt -60.64 -43.74 95.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.234 -177.541 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -66.4 -39.86 89.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.753 0.311 . . . . 0.0 110.684 -178.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -59.89 -42.45 93.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.219 0.533 . . . . 0.0 109.601 177.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 45.6 mt -70.61 -38.08 72.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.832 176.106 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 16.2 mt -55.6 -39.58 70.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.854 0.359 . . . . 0.0 111.53 176.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -68.42 -41.19 80.73 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.826 174.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.411 ' HB3' ' CE1' ' A' ' 107' ' ' HIS . 0.2 OUTLIER -71.81 -47.38 53.68 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.635 -0.711 . . . . 0.0 112.216 -174.74 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.539 ' HB3' HG23 ' A' ' 48' ' ' VAL . 1.2 tp10 -60.93 -36.84 80.38 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.952 -172.349 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.593 ' OE2' HG13 ' A' ' 48' ' ' VAL . 65.3 mm-40 -69.45 -41.49 76.18 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.275 0.559 . . . . 0.0 110.388 173.212 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -59.72 -34.33 72.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.681 179.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.577 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 62.5 m170 -64.13 -47.89 78.21 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.485 177.321 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.412 HG13 ' O ' ' A' ' 74' ' ' GLU . 62.9 mt -58.59 -49.75 81.37 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.78 -178.088 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -63.79 -34.2 77.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.806 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 30.6 t-105 -61.13 -56.56 19.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.561 179.126 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.434 ' HE1' HG23 ' A' ' 97' ' ' VAL . 50.1 m-70 -60.08 -46.4 89.72 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -179.292 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.443 ' HA ' ' HD2' ' A' ' 82' ' ' LYS . 39.3 tptt -62.83 -44.01 97.27 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.769 -0.372 . . . . 0.0 111.133 -174.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.34 -36.07 82.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.893 0.378 . . . . 0.0 111.307 -178.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.45 0 CA-C-O 121.019 0.438 . . . . 0.0 111.311 -179.326 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.232 0 CA-C-O 120.836 0.351 . . . . 0.0 111.365 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -69.41 -40.06 77.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.883 0.373 . . . . 0.0 111.02 -175.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -64.34 -34.83 79.05 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.234 0.54 . . . . 0.0 109.933 178.099 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -67.98 -38.68 83.01 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.221 176.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.24 -33.42 75.78 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.073 178.192 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 21.5 t -63.64 -33.08 74.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.36 178.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 9.8 mp -69.95 -35.05 74.2 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.543 177.14 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.535 ' HB ' HD23 ' A' ' 22' ' ' LEU . 39.9 t -65.24 -34.54 71.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.229 178.039 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -56.4 -45.1 80.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.07 179.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -67.89 -37.73 82.12 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.057 0.456 . . . . 0.0 110.256 178.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.577 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 3.9 t-160 -60.15 -43.09 96.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.861 177.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.497 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 51.7 tp -62.93 -48.32 79.44 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.937 -179.528 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -58.52 -38.96 78.81 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 121.449 0.642 . . . . 0.0 110.039 177.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -65.19 -49.39 69.94 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.814 -1.085 . . . . 0.0 111.85 -178.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.423 ' O ' HG23 ' A' ' 108' ' ' VAL . 27.2 mm-40 -65.44 -26.59 68.03 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.585 0.231 . . . . 0.0 110.712 -177.709 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.497 ' HG3' ' O ' ' A' ' 101' ' ' LEU . 80.8 mt-30 -61.53 -41.03 96.73 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.219 175.449 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 64.0 mtt180 -72.55 -29.72 63.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.942 176.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.528 ' O ' HG12 ' A' ' 111' ' ' ILE . 14.7 m170 -57.26 -45.38 84.08 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 173.265 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 104' ' ' GLU . 28.1 t -68.83 -35.77 71.05 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.141 176.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -55.75 -45.94 77.96 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 111.868 0.321 . . . . 0.0 111.868 -177.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.57 -28.87 67.34 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.343 179.567 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.829 HG22 HD22 ' A' ' 8' ' ' LEU . 36.0 mm -64.22 -65.94 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.773 0.32 . . . . 0.0 110.79 179.426 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 . . . . . 0 N--CA 1.447 -0.604 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.184 -176.985 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.429 ' CD2' HG13 ' A' ' 50' ' ' VAL . 89.8 mt . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.778 0.323 . . . . 0.0 110.94 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 88.4 mt -59.2 -30.68 68.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.936 -173.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 35.9 mtmt -59.45 -36.44 75.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.723 0.297 . . . . 0.0 110.898 -178.29 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.73 -46.3 66.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 -177.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -66.38 -41.49 89.32 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.123 179.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 79.5 mm-40 -64.78 -35.75 82.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.104 177.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.3 tp60 -60.31 -46.44 89.85 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.597 178.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.644 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -60.05 -46.71 93.7 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.752 -0.737 . . . . 0.0 111.745 177.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.462 ' HA ' HD11 ' A' ' 18' ' ' LEU . 75.1 mt -57.7 -43.88 84.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.689 0.28 . . . . 0.0 111.1 178.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.437 ' C ' ' HD3' ' A' ' 16' ' ' LYS . 0.8 OUTLIER -59.55 -46.45 88.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.39 179.895 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.45 ' O ' HG23 ' A' ' 21' ' ' VAL . 72.1 mt -61.77 -41.46 90.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.556 178.546 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.644 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 94.3 mt -57.65 -37.28 73.1 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.175 179.407 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.421 ' HG3' ' O ' ' A' ' 15' ' ' ILE . 30.2 mtpp -64.17 -41.93 96.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.2 179.238 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -66.45 -34.53 78.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.733 -177.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 17' ' ' ILE . 60.2 t -60.94 -39.45 82.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.98 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 99.0 mt -59.43 -35.47 74.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.59 178.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 80.7 mttt -72.21 -42.73 65.43 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.335 179.116 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -67.98 -21.13 65.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.469 -178.018 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.61 -42.66 93.16 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.351 179.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 59.8 mttm -73.23 -26.69 61.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.864 179.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -69.07 -41.63 77.31 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 174.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.36 19.29 78.43 Favored Glycine 0 N--CA 1.45 -0.406 0 CA-C-N 115.815 -0.63 . . . . 0.0 113.119 173.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -90.34 118.22 29.67 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.969 0.414 . . . . 0.0 110.844 -178.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -57.29 -42.49 81.79 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.689 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.499 ' O ' ' HB2' ' A' ' 35' ' ' ARG . 80.4 mt-30 -64.52 -44.87 89.51 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-O 120.504 0.193 . . . . 0.0 110.874 -173.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -62.98 -47.86 81.32 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.092 0.473 . . . . 0.0 110.622 175.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.499 HD21 ' CE2' ' A' ' 93' ' ' PHE . 19.0 mt -65.61 -45.78 81.83 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.492 -0.777 . . . . 0.0 112.295 -175.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.3 -34.61 77.73 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.905 0.383 . . . . 0.0 110.594 179.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.499 ' HB2' ' O ' ' A' ' 31' ' ' GLN . 33.8 ttt180 -65.04 -43.85 91.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.89 177.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.486 ' O ' HG13 ' A' ' 40' ' ' ILE . 41.8 mt -65.79 -39.19 90.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.86 177.14 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -61.03 -39.98 91.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 0.0 109.837 176.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -63.13 -42.18 99.45 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.56 175.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.451 ' HA ' ' HE3' ' A' ' 42' ' ' LYS . 69.1 mm-40 -58.95 -45.16 91.16 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.769 178.309 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.486 HG13 ' O ' ' A' ' 36' ' ' LEU . 81.4 mt -56.85 -49.12 79.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.196 -179.147 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.52 HG12 HG22 ' A' ' 78' ' ' ILE . 95.2 t -58.64 -56.51 16.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.645 -175.417 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.451 ' HE3' ' HA ' ' A' ' 39' ' ' GLU . 14.9 pttp -66.69 -35.88 81.2 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -178.477 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.38 -46.99 74.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.547 0.213 . . . . 0.0 111.222 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.401 ' O ' HG23 ' A' ' 48' ' ' VAL . 7.9 mt-10 -68.64 -35.16 76.91 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.726 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.545 ' HE2' HG21 ' A' ' 78' ' ' ILE . 57.3 mmtt -59.09 -44.05 91.87 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.802 0.334 . . . . 0.0 110.572 175.009 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.462 ' O ' HG21 ' A' ' 50' ' ' VAL . 54.6 tp60 -61.89 -41.15 97.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.809 176.737 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.83 -47.55 90.43 Favored Glycine 0 N--CA 1.448 -0.551 0 CA-C-N 115.771 -0.65 . . . . 0.0 112.727 178.396 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 44' ' ' GLU . 78.2 t -60.81 -40.33 84.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.778 0.323 . . . . 0.0 110.33 178.716 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 56.5 tttm -56.29 -49.85 73.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.106 178.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.462 HG21 ' O ' ' A' ' 46' ' ' GLN . 21.2 t -70.86 -46.14 69.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.116 -178.329 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -59.02 -45.45 90.67 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.442 -179.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.424 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 81.4 tttt -64.52 -35.27 80.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.688 -176.308 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -64.41 -47.63 78.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.447 179.049 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.98 -33.92 74.46 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.195 -178.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.33 -47.11 86.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.53 -179.116 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.424 ' HG2' ' O ' ' A' ' 52' ' ' LYS . 9.7 pt-20 -82.46 -2.49 53.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.696 0.284 . . . . 0.0 111.724 -177.523 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -102.62 -5.57 23.72 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.874 0.368 . . . . 0.0 110.392 174.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -81.88 175.47 10.38 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.024 -178.018 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 56.7 mtm180 -110.03 141.01 43.44 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.888 -177.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 61.8 t30 71.07 112.84 0.03 OUTLIER Pre-proline 0 N--CA 1.466 0.364 0 O-C-N 124.326 1.017 . . . . 0.0 110.633 -176.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_endo -55.6 -21.38 31.05 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 123.746 2.964 . . . . 0.0 113.189 -175.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.473 ' O ' HG21 ' A' ' 66' ' ' VAL . 40.5 mt-10 -66.04 -40.68 91.2 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.699 0.285 . . . . 0.0 110.459 177.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -70.34 -34.6 72.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.206 0.526 . . . . 0.0 109.709 176.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -60.9 -43.19 98.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.232 173.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.539 ' HA ' ' HB3' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -63.19 -35.73 81.28 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.041 -179.08 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.473 HG21 ' O ' ' A' ' 62' ' ' GLU . 93.1 t -59.12 -47.75 89.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.114 0.483 . . . . 0.0 109.985 178.418 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.43 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 59.2 mt -69.32 -39.14 78.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.281 176.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.539 ' HB3' ' HA ' ' A' ' 65' ' ' GLN . 19.0 t70 -56.34 -37.63 70.25 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.634 177.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 22.8 mtpp -58.97 -45.61 90.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.043 0.449 . . . . 0.0 110.562 176.477 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.406 ' O ' ' HB2' ' A' ' 74' ' ' GLU . 37.4 mt -71.05 -38.21 70.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.366 177.235 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.464 HD12 ' HA ' ' A' ' 68' ' ' ASP . 68.1 mt -55.94 -43.22 77.23 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.068 0.461 . . . . 0.0 110.993 175.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -70.05 -46.81 64.2 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.138 178.084 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -62.06 -46.64 88.23 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.718 -178.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.406 ' HB2' ' O ' ' A' ' 70' ' ' ILE . 4.5 tp10 -63.58 -36.99 85.62 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.9 -173.184 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -62.57 -37.67 87.08 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 120.974 0.416 . . . . 0.0 110.84 176.015 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -60.68 -34.19 73.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.632 -179.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.561 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 60.0 m170 -63.92 -49.11 73.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.455 0.645 . . . . 0.0 110.062 177.004 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.545 HG21 ' HE2' ' A' ' 45' ' ' LYS . 45.4 mt -63.74 -45.93 95.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 114.767 -1.106 . . . . 0.0 110.716 -176.642 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -56.73 -34.39 67.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.065 178.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.419 ' HE1' ' HG ' ' A' ' 96' ' ' LEU . 22.7 t-105 -71.32 -57.64 4.27 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.569 178.703 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -62.14 -32.41 73.01 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 112.084 0.401 . . . . 0.0 112.084 -177.197 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 53.8 tttm -67.55 -46.68 72.02 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.01 0.433 . . . . 0.0 110.673 179.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.98 -38.87 69.62 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.666 179.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.412 0 CA-C-N 116.16 -0.473 . . . . 0.0 112.24 -174.513 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 111.932 0.345 . . . . 0.0 111.932 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -65.38 -48.79 71.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.784 -172.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 -68.69 -40.78 79.87 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.201 0.524 . . . . 0.0 110.559 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.499 ' CE2' HD21 ' A' ' 33' ' ' LEU . 19.5 t80 -62.26 -40.2 95.41 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.825 -178.563 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.69 -28.81 70.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.966 179.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 11.9 m -77.06 -45.17 28.02 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.971 0.415 . . . . 0.0 110.431 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.419 ' HG ' ' HE1' ' A' ' 80' ' ' TRP . 4.2 mm? -69.7 -38.48 76.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.773 -177.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 10.7 p -63.32 -34.35 66.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.715 0.293 . . . . 0.0 110.991 -179.153 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -65.65 -36.87 84.93 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 179.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 73.0 mm-40 -65.81 -39.16 90.63 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.777 177.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.561 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 4.7 t-160 -57.94 -43.17 86.2 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.535 176.696 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 52.3 tp -59.66 -46.41 89.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.989 178.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -63.91 -37.85 88.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -61.29 -49.17 78.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.979 179.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 100' ' ' HIS . 23.8 mm-40 -65.23 -26.79 68.27 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.053 -176.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -65.28 -33.48 76.09 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.648 177.456 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.499 ' HA ' ' HG2' ' A' ' 109' ' ' GLU . 23.5 ttt85 -72.57 -32.79 66.31 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 174.407 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.573 ' O ' HG12 ' A' ' 111' ' ' ILE . 17.8 m170 -58.48 -41.76 86.0 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 178.359 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 91.8 t -58.27 -50.59 77.93 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.052 178.268 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.499 ' HG2' ' HA ' ' A' ' 106' ' ' ARG . 6.3 pt-20 -68.38 -34.65 76.43 Favored 'General case' 0 C--O 1.224 -0.251 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.978 -177.198 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -68.46 -29.8 68.51 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.311 -0.556 . . . . 0.0 110.464 177.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.573 HG12 ' O ' ' A' ' 107' ' ' HIS . 31.9 mm -66.12 -64.91 0.64 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.893 174.143 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 . . . . . 0 C--O 1.235 0.314 0 N-CA-C 112.943 0.72 . . . . 0.0 112.943 -172.11 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.494 ' HG ' HG13 ' A' ' 50' ' ' VAL . 8.4 mp . . . . . 0 C--O 1.233 0.194 0 CA-C-O 120.784 0.326 . . . . 0.0 111.514 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 79.3 mt -59.72 -30.33 68.75 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.494 0.554 . . . . 0.0 112.494 -174.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -59.09 -44.93 91.96 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 111.773 0.286 . . . . 0.0 111.773 -174.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.89 -42.39 85.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.644 0.259 . . . . 0.0 110.901 -177.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -63.95 -41.8 97.49 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.196 0.522 . . . . 0.0 109.806 177.311 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -63.49 -35.12 79.41 Favored 'General case' 0 N--CA 1.457 -0.111 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.966 177.26 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.46 ' O ' HG13 ' A' ' 17' ' ' ILE . 40.6 mt-30 -62.57 -45.99 90.4 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.825 177.699 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.59 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -60.89 -46.21 95.01 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.574 -0.822 . . . . 0.0 111.523 176.401 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 80.4 mt -59.53 -42.9 89.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.75 -0.225 . . . . 0.0 110.998 177.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.595 ' HA ' ' HD3' ' A' ' 19' ' ' LYS . 82.7 tttt -57.31 -47.37 81.67 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.668 0.271 . . . . 0.0 110.792 179.568 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' ' 13' ' ' GLN . 52.5 mt -63.95 -41.23 91.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.351 179.591 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.59 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 96.8 mt -57.6 -41.45 81.26 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.493 177.713 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.595 ' HD3' ' HA ' ' A' ' 16' ' ' LYS . 25.7 mtpp -61.37 -37.19 82.47 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.976 178.673 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -73.66 -41.85 62.14 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.534 178.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.463 HG12 HD23 ' A' ' 33' ' ' LEU . 66.7 t -59.64 -39.68 80.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.285 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 87.9 mt -55.03 -43.66 73.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.889 0.376 . . . . 0.0 111.102 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 38.9 mtmm -72.09 -44.02 63.9 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.03 0.443 . . . . 0.0 110.944 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -70.0 -28.3 65.4 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.858 -175.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.533 ' HA ' HD11 ' A' ' 33' ' ' LEU . . . -71.58 -35.87 70.69 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.818 0.342 . . . . 0.0 110.891 178.207 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -72.13 -31.81 66.35 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 121.138 0.494 . . . . 0.0 110.111 176.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -69.66 -30.77 68.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.364 175.235 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 86.77 31.54 17.86 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.974 -0.632 . . . . 0.0 112.105 179.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.485 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 40.8 t0 -96.61 80.34 3.09 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.353 0.597 . . . . 0.0 110.297 -179.642 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.428 ' HA ' HD13 ' A' ' 33' ' ' LEU . 37.8 mt-10 -69.76 -21.33 63.45 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.508 -175.344 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -64.03 -47.88 78.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.881 0.372 . . . . 0.0 110.533 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -71.46 -38.14 71.29 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.759 175.08 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.533 HD11 ' HA ' ' A' ' 25' ' ' ALA . 81.6 mt -57.06 -41.55 78.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.398 -178.048 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.54 -42.35 98.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.896 0.379 . . . . 0.0 111.035 178.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 16.1 ttm180 -71.44 -43.85 65.93 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.571 ' O ' HG13 ' A' ' 40' ' ' ILE . 93.7 mt -60.94 -38.72 86.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.508 178.573 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 44.4 t-20 -55.98 -48.08 76.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.885 177.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -60.68 -43.12 98.11 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.328 177.119 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -66.74 -34.69 78.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.854 -177.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.571 HG13 ' O ' ' A' ' 36' ' ' LEU . 86.0 mt -57.43 -46.67 85.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 175.533 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.83 HG11 HG21 ' A' ' 78' ' ' ILE . 89.6 t -55.58 -43.41 72.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.628 177.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -63.32 -38.7 92.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.013 179.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.15 -47.01 72.3 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.574 178.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.491 ' HG2' ' O ' ' A' ' 40' ' ' ILE . 5.7 mm-40 -59.27 -46.0 89.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.369 178.264 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.521 ' HE2' HD13 ' A' ' 78' ' ' ILE . 65.4 mmtt -60.92 -41.85 96.97 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.449 -179.739 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.41 ' O ' HG21 ' A' ' 50' ' ' VAL . 58.6 tp60 -60.83 -41.77 96.45 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 178.122 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.32 -46.83 93.63 Favored Glycine 0 N--CA 1.446 -0.659 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.936 176.271 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.433 HG22 ' O ' ' A' ' 44' ' ' GLU . 79.6 t -54.85 -41.55 57.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.672 0.272 . . . . 0.0 111.244 178.634 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.1 -43.88 97.88 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.934 0.397 . . . . 0.0 110.852 179.428 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.494 HG13 ' HG ' ' A' ' 7' ' ' LEU . 46.2 t -69.51 -39.93 79.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.212 179.275 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -61.87 -44.89 95.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.371 177.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -58.44 -37.8 76.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.421 178.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -67.54 -51.65 48.26 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.033 0.444 . . . . 0.0 110.317 177.192 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.98 -31.67 73.02 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.753 -177.058 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.15 -45.91 92.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.65 -179.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -83.22 -5.43 59.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.112 0.482 . . . . 0.0 110.442 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 42.5 mmtm -92.44 15.28 14.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.846 171.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -82.25 105.25 13.18 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.115 0.483 . . . . 0.0 111.702 -178.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -68.48 -27.3 66.02 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.817 171.324 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 25.5 t30 -125.81 122.71 24.6 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.811 -179.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_exo -53.55 -26.26 36.08 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 123.449 2.766 . . . . 0.0 113.634 -177.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -63.63 -33.45 75.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.023 0.44 . . . . 0.0 110.767 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 27.8 ttpp -72.34 -30.3 64.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.66 178.182 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 31.8 ttp85 -69.05 -37.89 78.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.027 178.227 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -57.28 -44.9 84.44 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.149 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 57.7 t -62.45 -44.35 99.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.191 0.52 . . . . 0.0 110.554 178.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 80.6 mt -67.73 -44.07 86.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.144 -179.059 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -59.93 -46.6 88.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.538 -179.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 56.8 tttm -59.44 -44.6 92.89 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.992 -179.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 78.5 mt -71.17 -43.61 74.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.26 179.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.4 tt -61.02 -49.54 76.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.726 -176.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -63.8 -35.12 79.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.476 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.488 ' HB3' ' CE1' ' A' ' 107' ' ' HIS . 22.8 t0 -66.39 -46.26 77.21 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.424 0.631 . . . . 0.0 109.518 176.034 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.28 -38.77 84.6 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.518 -177.487 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -68.61 -33.99 74.99 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-O 120.983 0.42 . . . . 0.0 110.436 177.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -67.79 -35.88 79.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.562 177.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 63.2 m170 -61.19 -47.64 85.21 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.288 0.566 . . . . 0.0 109.828 177.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.83 HG21 HG11 ' A' ' 41' ' ' VAL . 89.0 mt -57.75 -45.26 86.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.609 179.589 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -56.66 -41.32 77.06 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.056 177.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 33.1 t-105 -67.63 -48.59 66.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.875 0.369 . . . . 0.0 110.29 178.226 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 31.8 m-70 -58.66 -31.85 68.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.138 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.477 ' HG3' ' O ' ' A' ' 78' ' ' ILE . 51.6 mtpt -59.31 -46.56 88.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.827 0.346 . . . . 0.0 110.793 177.513 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.3 -44.54 62.58 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.348 178.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.31 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 -172.283 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.118 0 CA-C-O 120.83 0.348 . . . . 0.0 110.212 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -68.39 -47.11 68.19 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.23 0.538 . . . . 0.0 110.118 -179.022 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -65.98 -35.36 80.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.529 176.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.532 ' O ' HG21 ' A' ' 97' ' ' VAL . 5.0 t80 -60.91 -47.41 86.55 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.793 -176.47 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.471 ' O ' ' HG3' ' A' ' 98' ' ' GLN . . . -57.15 -34.68 68.67 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.206 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 10.0 t -70.71 -39.84 73.19 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.651 -178.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -72.12 -34.92 68.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.166 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.532 HG21 ' O ' ' A' ' 93' ' ' PHE . 86.6 t -62.2 -36.39 74.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.76 178.773 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.471 ' HG3' ' O ' ' A' ' 94' ' ' ALA . 79.0 mt-30 -57.34 -42.19 81.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.611 177.38 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -63.32 -42.03 98.96 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.554 178.614 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.503 ' O ' ' HG2' ' A' ' 104' ' ' GLU . 5.6 t-160 -63.92 -45.24 90.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.863 177.785 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.459 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 54.8 tp -60.01 -48.8 80.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.192 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -64.72 -33.96 77.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.366 0.603 . . . . 0.0 110.451 178.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -63.4 -44.68 93.97 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.575 177.166 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.503 ' HG2' ' O ' ' A' ' 100' ' ' HIS . 17.9 mm-40 -70.35 -32.53 70.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.493 -178.614 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.459 ' HG3' ' O ' ' A' ' 101' ' ' LEU . 77.8 mt-30 -61.02 -38.66 86.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.245 0.545 . . . . 0.0 109.996 176.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 65.8 mtm180 -64.58 -30.63 71.65 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.96 176.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.488 ' CE1' ' HB3' ' A' ' 73' ' ' ASP . 51.3 m170 -68.51 -49.91 56.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.926 175.333 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 48.2 t -65.9 -42.09 91.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.968 -175.02 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -57.0 -38.45 73.08 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 -175.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -70.83 -28.76 64.84 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.674 0.273 . . . . 0.0 111.131 179.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 62.1 mt -78.56 -32.46 16.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.84 0.352 . . . . 0.0 111.333 -179.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 121.03 0.443 . . . . 0.0 111.811 -176.001 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.428 HD21 HG11 ' A' ' 50' ' ' VAL . 94.4 mt . . . . . 0 N--CA 1.461 0.101 0 CA-C-O 121.181 0.515 . . . . 0.0 110.324 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.54 HD11 HG13 ' A' ' 108' ' ' VAL . 0.3 OUTLIER -67.19 -37.69 84.11 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.957 -0.756 . . . . 0.0 108.957 175.559 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.88 -35.07 77.25 Favored 'General case' 0 C--O 1.225 -0.191 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.881 177.15 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.25 -46.58 89.32 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.754 179.263 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -67.59 -39.28 84.8 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.592 177.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -63.72 -40.46 96.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.815 177.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.577 ' O ' HG13 ' A' ' 17' ' ' ILE . 48.4 tt0 -69.61 -37.42 76.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.921 177.28 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.479 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -58.15 -46.51 92.64 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.82 -0.705 . . . . 0.0 111.609 174.782 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 77.8 mt -63.59 -39.54 85.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.843 0.354 . . . . 0.0 110.301 175.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.415 ' HB3' ' O ' ' A' ' 13' ' ' GLN . 43.4 tttp -55.3 -48.23 74.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.867 175.761 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.577 HG13 ' O ' ' A' ' 13' ' ' GLN . 62.8 mt -62.05 -45.63 98.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.989 178.351 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.538 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 95.7 mt -57.78 -40.55 80.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.953 179.537 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp -63.33 -37.56 87.76 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.763 0.316 . . . . 0.0 111.238 178.371 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -73.24 -34.97 66.17 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.229 177.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 17' ' ' ILE . 89.7 t -62.86 -42.23 95.63 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.312 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.438 175.174 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' A' ' 18' ' ' LEU . 93.4 mt -55.68 -40.17 71.95 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.712 0.291 . . . . 0.0 111.536 -179.506 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -68.35 -42.53 79.13 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.347 0.594 . . . . 0.0 110.351 179.008 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.838 ' HD3' ' HB3' ' A' ' 32' ' ' GLU . 98.4 mttt -83.54 -18.17 39.31 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.362 -0.835 . . . . 0.0 112.076 -173.289 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.31 -31.36 70.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.007 0.432 . . . . 0.0 110.25 175.13 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -69.59 -29.42 66.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.194 175.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -81.13 -35.5 31.48 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.279 -179.011 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.92 38.5 56.02 Favored Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.605 176.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -97.21 122.89 40.74 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.551 0.215 . . . . 0.0 110.448 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -64.92 -41.41 95.58 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.767 -176.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -63.66 -42.32 98.1 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.073 0.463 . . . . 0.0 110.389 -173.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.838 ' HB3' ' HD3' ' A' ' 24' ' ' LYS . 77.1 mm-40 -71.15 -46.56 61.23 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.473 176.522 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 17.3 mt -60.71 -45.63 93.49 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.995 -178.091 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.7 -45.13 91.41 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.566 0.222 . . . . 0.0 111.023 -178.023 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 21.4 ttm180 -59.5 -44.33 93.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.092 0.472 . . . . 0.0 110.344 178.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.708 HD11 ' HD2' ' A' ' 24' ' ' LYS . 81.6 mt -67.13 -45.19 77.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.907 179.568 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -58.87 -42.98 90.74 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.23 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -64.05 -42.07 97.17 Favored 'General case' 0 N--CA 1.441 -0.891 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.722 176.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.867 ' HA ' ' HE3' ' A' ' 42' ' ' LYS . 6.3 tp10 -60.55 -42.42 96.52 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.355 -179.723 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.528 HG13 ' O ' ' A' ' 36' ' ' LEU . 75.4 mt -58.44 -49.64 81.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.324 177.789 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 91.9 t -56.9 -44.67 82.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.944 178.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.867 ' HE3' ' HA ' ' A' ' 39' ' ' GLU . 33.6 mtmt -60.99 -47.24 87.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.264 178.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.17 -46.96 72.4 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.705 -176.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.469 ' O ' HG23 ' A' ' 48' ' ' VAL . 48.2 mt-10 -67.41 -40.78 85.57 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.219 -176.652 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.495 ' HE2' HG23 ' A' ' 78' ' ' ILE . 61.1 mttm -66.5 -32.08 73.22 Favored 'General case' 0 CA--C 1.52 -0.183 0 C-N-CA 120.752 -0.379 . . . . 0.0 111.128 179.016 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.418 ' O ' HG23 ' A' ' 50' ' ' VAL . 24.1 tm0? -61.06 -46.07 92.17 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 175.409 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -65.1 -47.17 84.56 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.852 -0.69 . . . . 0.0 111.988 178.206 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 44' ' ' GLU . 91.2 t -57.65 -41.5 79.42 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-O 120.765 0.317 . . . . 0.0 110.942 179.276 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -61.04 -43.52 98.77 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.682 -179.074 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.428 HG11 HD21 ' A' ' 7' ' ' LEU . 47.0 t -70.25 -41.22 78.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.724 178.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -60.64 -41.91 95.89 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.696 0.284 . . . . 0.0 110.535 177.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.565 ' HG2' HD13 ' A' ' 71' ' ' LEU . 6.7 tmtt? -60.58 -39.98 90.03 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.137 0.494 . . . . 0.0 110.507 176.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -67.22 -45.65 76.19 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.351 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.61 -32.94 68.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.997 -177.642 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.414 ' O ' ' HD2' ' A' ' 64' ' ' ARG . . . -62.82 -38.11 89.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.595 0.236 . . . . 0.0 111.626 -177.58 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -71.4 -23.03 61.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.132 0.491 . . . . 0.0 110.845 177.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -106.2 37.61 2.24 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.944 177.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.97 139.25 52.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.351 -0.84 . . . . 0.0 112.068 -177.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 79.4 mtt180 -102.15 -22.78 14.14 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.036 179.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -152.66 125.73 4.13 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.635 -178.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -50.18 -47.89 22.13 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 123.074 2.516 . . . . 0.0 112.906 178.158 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -61.03 -38.28 85.56 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.005 0.431 . . . . 0.0 110.955 179.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.81 ' HA ' ' HE3' ' A' ' 63' ' ' LYS . 0.7 OUTLIER -68.15 -42.23 80.41 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.298 179.104 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.414 ' HD2' ' O ' ' A' ' 55' ' ' ALA . 9.0 ttp180 -69.71 -29.52 66.94 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.661 -179.079 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.25 -42.35 86.21 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.118 0.485 . . . . 0.0 110.015 176.476 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 98.2 t -61.0 -47.4 93.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.514 175.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 75.4 mt -65.08 -45.95 92.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.988 -179.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -57.05 -45.52 83.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.661 -177.231 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.1 ttpm? -63.44 -43.8 96.37 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.808 -179.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 55.7 mt -70.17 -38.19 73.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.954 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.565 HD13 ' HG2' ' A' ' 52' ' ' LYS . 7.0 tt -57.92 -49.42 76.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.123 177.314 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -65.98 -38.81 89.49 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.609 179.117 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -61.51 -49.24 77.54 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.71 178.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.432 ' O ' HG13 ' A' ' 78' ' ' ILE . 2.4 tp10 -65.62 -41.48 92.65 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.017 -0.992 . . . . 0.0 111.042 -172.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.47 -34.69 77.34 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 121.167 0.508 . . . . 0.0 110.007 174.277 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.882 ' HA ' ' HE3' ' A' ' 76' ' ' LYS . 0.6 OUTLIER -61.86 -36.67 81.92 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.486 179.857 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 51.5 m170 -64.96 -48.3 74.56 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.294 0.568 . . . . 0.0 110.485 177.116 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.495 HG23 ' HE2' ' A' ' 45' ' ' LYS . 52.3 mt -60.69 -38.42 78.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 114.922 -1.035 . . . . 0.0 111.007 -175.632 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -59.08 -39.55 82.47 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.665 -0.243 . . . . 0.0 110.681 176.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 21.3 t-105 -63.46 -50.88 67.99 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 177.012 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -62.59 -30.97 71.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.588 -179.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp -66.62 -46.76 74.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.858 0.361 . . . . 0.0 110.903 173.265 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.47 -29.96 66.66 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.331 -179.172 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.34 179.74 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.417 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.49 -37.63 77.3 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.716 0.293 . . . . 0.0 111.496 -175.033 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -64.5 -49.78 70.0 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.22 0.533 . . . . 0.0 109.996 177.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -60.88 -42.34 97.75 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.305 -0.862 . . . . 0.0 110.835 179.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.27 -21.33 66.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.506 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 27.2 m -83.58 -47.48 11.24 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.824 0.345 . . . . 0.0 110.514 178.02 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 10.4 mp -70.81 -31.8 68.66 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.659 -178.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 7.5 p -61.87 -33.74 59.39 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 CA-C-O 120.651 0.263 . . . . 0.0 110.781 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -59.96 -33.55 72.09 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.706 0.289 . . . . 0.0 110.959 177.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -66.8 -35.7 80.68 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.022 176.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -65.74 -42.39 91.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.45 178.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.544 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 3.9 mm? -58.17 -48.7 79.49 Favored 'General case' 0 N--CA 1.461 0.125 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.55 178.139 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -67.3 -38.7 85.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.059 -179.356 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -64.42 -49.0 73.25 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.712 -175.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -63.63 -29.77 70.97 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.539 0.209 . . . . 0.0 111.348 -176.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.544 ' HG3' ' O ' ' A' ' 101' ' ' LEU . 77.5 mt-30 -61.81 -40.06 93.93 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 177.623 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.588 ' HA ' ' HG2' ' A' ' 109' ' ' GLU . 1.1 mtp180 -65.68 -32.38 73.91 Favored 'General case' 0 C--O 1.224 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.961 176.637 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.443 ' O ' HG12 ' A' ' 111' ' ' ILE . 22.7 m170 -63.44 -39.34 94.23 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.318 179.165 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.54 HG13 HD11 ' A' ' 8' ' ' LEU . 59.0 t -67.64 -50.93 56.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.287 178.393 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.588 ' HG2' ' HA ' ' A' ' 106' ' ' ARG . 12.7 pt-20 -66.97 -32.2 73.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.122 -177.542 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.459 ' HB2' ' O ' ' A' ' 106' ' ' ARG . 4.0 tp10 -58.98 -36.47 74.91 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 176.831 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.443 HG12 ' O ' ' A' ' 107' ' ' HIS . 48.9 mm -74.45 -61.78 1.57 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.418 178.228 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.448 -0.557 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 179.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.8 tpt . . . . . 0 N--CA 1.48 1.071 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -155.6 135.33 12.66 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.96 -172.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.479 ' HB2' ' NZ ' ' A' ' 63' ' ' LYS . 4.1 mp0 48.47 72.98 0.24 Allowed 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.386 -0.825 . . . . 0.0 111.218 -178.404 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 29.8 tp -133.29 -69.67 0.55 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.252 -178.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -65.66 -35.16 79.99 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.423 0.63 . . . . 0.0 109.593 174.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.407 ' H ' ' CD ' ' A' ' 6' ' ' GLU . 28.0 mp0 -59.0 -47.04 86.64 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.841 -179.514 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 95.9 mt -72.45 -33.78 67.29 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.149 -178.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 48.7 mt -60.71 -30.05 69.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.877 177.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -58.02 -34.99 70.64 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.764 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.85 -46.6 71.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.579 178.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -65.39 -44.59 87.06 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.69 179.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -57.81 -42.33 84.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.042 179.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -65.26 -46.47 80.36 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.659 179.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.497 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -59.7 -46.53 93.86 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.877 -0.677 . . . . 0.0 112.237 178.707 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.49 ' O ' ' HG2' ' A' ' 19' ' ' LYS . 76.3 mt -62.65 -40.72 89.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.633 0.254 . . . . 0.0 111.107 179.227 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -61.98 -40.78 96.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.765 0.317 . . . . 0.0 110.639 -178.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.468 ' O ' HG23 ' A' ' 21' ' ' VAL . 64.3 mt -65.98 -40.07 86.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.351 176.633 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 91.5 mt -57.56 -36.11 71.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.318 178.525 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.49 ' HG2' ' O ' ' A' ' 15' ' ' ILE . 30.7 mmmt -56.5 -45.36 81.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.092 0.472 . . . . 0.0 110.348 177.554 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.452 ' HA ' ' OE1' ' A' ' 20' ' ' GLU . 9.4 mm-40 -72.45 -33.64 67.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.594 179.54 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.522 HG22 HD12 ' A' ' 40' ' ' ILE . 76.4 t -59.53 -39.24 78.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.397 176.186 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 90.9 mt -60.54 -39.48 88.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.713 175.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.9 mmmm -65.62 -48.24 72.93 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.668 178.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.448 ' CG ' ' HB3' ' A' ' 32' ' ' GLU . 5.5 mptp? -74.54 -25.19 59.16 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.817 -175.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.84 -42.17 99.64 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.959 0.409 . . . . 0.0 110.077 175.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -72.64 -35.12 67.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.853 176.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -61.12 -48.49 81.42 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.561 175.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.66 58.81 4.35 Favored Glycine 0 N--CA 1.448 -0.514 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.726 176.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -127.07 133.91 50.37 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 110.329 -0.249 . . . . 0.0 110.329 176.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -62.96 -44.16 96.82 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.542 -175.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -63.46 -47.78 80.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.646 0.26 . . . . 0.0 110.692 -177.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.448 ' HB3' ' CG ' ' A' ' 24' ' ' LYS . 37.8 mm-40 -62.15 -44.92 95.56 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.157 177.751 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 33' ' ' LEU . 17.9 mt -65.19 -45.8 83.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.156 -177.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.85 -44.12 86.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.817 0.342 . . . . 0.0 110.708 -179.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.436 ' O ' ' HG2' ' A' ' 39' ' ' GLU . 61.9 ttt180 -59.62 -44.11 93.55 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.451 178.323 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.479 ' O ' HG13 ' A' ' 40' ' ' ILE . 28.6 mt -68.39 -40.23 81.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.087 178.093 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.452 ' O ' HG23 ' A' ' 41' ' ' VAL . 26.5 t-20 -56.26 -44.84 80.11 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 174.722 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 1.031 ' HA ' HE21 ' A' ' 38' ' ' GLN . 0.0 OUTLIER -62.49 -40.84 98.0 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.464 177.804 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 35' ' ' ARG . 64.7 mm-40 -63.1 -41.94 99.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.879 177.158 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.522 HD12 HG22 ' A' ' 21' ' ' VAL . 85.3 mt -59.81 -50.01 81.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 179.41 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 37' ' ' ASN . 89.8 t -53.73 -50.57 50.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.979 -179.134 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt -63.54 -44.07 95.26 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.53 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.92 -47.28 72.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.875 -175.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -64.86 -40.0 94.44 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.592 -177.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.434 ' HG3' HD11 ' A' ' 78' ' ' ILE . 67.1 mttm -69.89 -32.27 70.51 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.521 179.102 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 50.5 tp60 -62.17 -37.09 83.94 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 172.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.599 ' O ' ' HD1' ' A' ' 51' ' ' TYR . . . -62.05 -47.24 91.25 Favored Glycine 0 N--CA 1.448 -0.528 0 CA-C-N 115.039 -0.982 . . . . 0.0 111.543 172.755 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 79.4 t -55.91 -38.65 53.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.794 0.33 . . . . 0.0 110.406 176.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.5 tptm -61.73 -49.75 75.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.56 -179.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 8.6 m -68.5 -37.55 77.92 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.081 0 C-N-CA 120.845 -0.342 . . . . 0.0 111.305 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.599 ' HD1' ' O ' ' A' ' 47' ' ' GLY . 36.9 m-85 -65.82 -49.11 69.39 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 121.032 -0.267 . . . . 0.0 110.788 178.351 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -60.79 -39.39 88.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.116 0.484 . . . . 0.0 110.797 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -64.79 -41.97 95.41 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.585 179.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.413 ' CB ' ' HG2' ' A' ' 3' ' ' GLU . . . -72.06 -32.83 67.44 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.458 179.12 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.43 -39.47 83.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.484 -179.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -82.82 15.09 2.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.059 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.404 ' HE3' ' HB3' ' A' ' 57' ' ' LYS . 16.1 ttpp -142.61 33.77 1.44 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.57 0.7 . . . . 0.0 109.236 176.063 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -88.21 111.0 21.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.183 -178.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -60.43 -35.04 74.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.176 179.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.408 ' OD1' ' HD2' ' A' ' 61' ' ' PRO . 31.4 t30 -124.11 129.21 24.82 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.612 -178.702 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.408 ' HD2' ' OD1' ' A' ' 60' ' ' ASN . 94.7 Cg_exo -46.15 -34.3 13.14 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 123.503 2.802 . . . . 0.0 113.531 177.291 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -63.98 -32.79 74.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.877 0.37 . . . . 0.0 110.872 178.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.479 ' NZ ' ' HB2' ' A' ' 3' ' ' GLU . 1.4 tmtp? -69.51 -38.02 77.42 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 178.447 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 17.6 ttm-85 -69.47 -40.34 77.16 Favored 'General case' 0 C--O 1.223 -0.319 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.061 175.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -55.77 -45.52 78.11 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 123.182 0.593 . . . . 0.0 111.647 -178.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 92.7 t -65.69 -46.38 89.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.997 0.427 . . . . 0.0 110.316 178.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.44 HD12 ' HE2' ' A' ' 63' ' ' LYS . 52.0 mt -60.34 -48.11 89.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.473 178.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -60.86 -41.2 95.44 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.125 -176.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.452 ' C ' ' HD3' ' A' ' 69' ' ' LYS . 14.1 tmtt? -63.03 -46.42 87.66 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.663 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 17.7 mt -71.63 -37.15 62.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.163 179.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.6 tt -55.5 -47.55 76.02 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 176.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -65.2 -40.76 94.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.129 177.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.435 ' O ' ' HB2' ' A' ' 76' ' ' LYS . 0.4 OUTLIER -60.96 -49.24 78.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.101 -178.841 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.7 -39.55 94.37 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.208 -173.157 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -67.2 -36.45 81.76 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.936 174.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.435 ' HB2' ' O ' ' A' ' 73' ' ' ASP . 25.4 mmmt -58.56 -38.47 77.92 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.86 178.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.572 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 55.1 m170 -61.93 -48.06 82.1 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.299 179.063 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.434 HD11 ' HG3' ' A' ' 45' ' ' LYS . 45.8 mt -61.99 -43.1 97.13 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.297 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.748 -178.311 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -56.91 -37.26 71.19 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.174 179.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 33.1 t-105 -67.7 -52.95 31.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.642 177.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -61.98 -32.11 72.54 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.764 -179.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.654 ' HB3' ' HZ2' ' A' ' 82' ' ' LYS . 5.8 ttpm? -71.39 -39.76 70.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.952 0.406 . . . . 0.0 110.676 178.64 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.52 -24.42 67.12 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.853 -176.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.98 -55.18 37.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.698 178.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 39.5 m 58.68 20.74 8.07 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.804 178.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt 61.04 90.29 0.07 Allowed 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 123.158 0.583 . . . . 0.0 111.776 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.415 ' HB2' ' H ' ' A' ' 88' ' ' GLY . 68.6 mt-30 -95.75 -78.45 0.46 Allowed 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 171.349 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.415 ' H ' ' HB2' ' A' ' 87' ' ' GLN . . . -146.95 41.1 0.98 Allowed Glycine 0 N--CA 1.444 -0.813 0 N-CA-C 108.885 -1.686 . . . . 0.0 108.885 171.153 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.49 ' HB3' ' HB2' ' A' ' 93' ' ' PHE . 14.6 m120 -74.78 97.5 3.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.452 -0.874 . . . . 0.0 111.628 -170.491 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -136.43 -70.25 0.47 Allowed 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 172.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -68.51 -44.4 74.75 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.578 176.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -63.95 -36.1 82.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.165 176.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.612 ' O ' HG22 ' A' ' 97' ' ' VAL . 39.3 t80 -66.78 -49.14 66.84 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.65 -174.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.44 -39.51 76.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.477 -178.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 11.1 t -60.92 -42.9 99.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.498 179.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.435 HD12 ' HA ' ' A' ' 96' ' ' LEU . 4.1 mm? -72.68 -32.49 65.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.813 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.612 HG22 ' O ' ' A' ' 93' ' ' PHE . 93.8 t -61.8 -35.04 65.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.591 0.234 . . . . 0.0 110.578 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -56.08 -37.2 69.01 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.505 178.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -69.94 -42.39 73.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.643 -179.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.572 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 4.5 t-160 -63.53 -43.61 96.63 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 178.402 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 48.6 tp -63.16 -48.65 77.52 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.224 -178.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -64.03 -35.57 81.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.072 0.463 . . . . 0.0 110.586 178.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -65.27 -49.1 70.85 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.925 -179.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.415 ' O ' ' HB2' ' A' ' 107' ' ' HIS . 14.2 mm-40 -66.06 -32.62 74.19 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.929 0.395 . . . . 0.0 110.43 -178.593 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -65.76 -33.26 75.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.191 -0.458 . . . . 0.0 109.965 174.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 57.7 ttt-85 -69.88 -35.0 74.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.526 175.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.425 ' HE1' ' HB3' ' A' ' 73' ' ' ASP . 21.5 m170 -59.0 -40.13 83.94 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.836 175.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 57.3 t -61.75 -41.06 89.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.198 176.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -67.62 -36.85 81.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.933 177.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -64.28 -29.87 70.95 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.64 177.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 42.3 mm -87.16 -65.0 0.98 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.442 177.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -81.71 -34.05 30.79 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.446 0.536 . . . . 0.0 112.446 -171.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 97.9 mttt 70.34 -64.59 0.36 Allowed 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.3 0.64 . . . . 0.0 110.485 -172.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -121.67 100.12 6.83 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.112 0.482 . . . . 0.0 109.748 171.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.703 -0.665 . . . . 0.0 110.147 -179.352 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.7 ptp . . . . . 0 N--CA 1.484 1.245 0 CA-C-O 120.967 0.413 . . . . 0.0 110.366 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -84.04 -76.31 0.3 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.503 -172.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -79.3 13.48 1.89 Allowed 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -174.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.517 HD23 HG21 ' A' ' 111' ' ' ILE . 7.7 mp -87.5 8.5 24.61 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.641 0.258 . . . . 0.0 111.236 -175.16 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -68.01 -41.44 82.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.29 -178.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -62.04 -36.04 80.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.254 0.55 . . . . 0.0 110.363 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.469 HD13 ' HA ' ' A' ' 4' ' ' LEU . 6.5 mp -70.32 -42.07 72.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.296 -0.866 . . . . 0.0 110.341 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 77.3 mt -61.79 -45.53 93.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.304 179.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 58.9 tttm -61.99 -34.61 76.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.685 -176.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.41 -46.83 78.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.743 178.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -64.03 -43.3 95.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.665 178.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -64.09 -36.27 83.47 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.955 179.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 53.4 tp60 -66.74 -44.48 81.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.333 179.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.613 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -58.93 -46.58 93.43 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.824 -0.703 . . . . 0.0 111.504 176.524 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.472 HG22 ' CD1' ' A' ' 101' ' ' LEU . 67.7 mt -58.4 -42.68 84.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.844 0.354 . . . . 0.0 110.806 176.53 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -60.92 -41.04 95.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.807 -179.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.511 ' O ' HG23 ' A' ' 21' ' ' VAL . 69.4 mt -68.32 -43.15 84.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.477 176.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.613 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 95.4 mt -57.3 -37.32 72.28 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.45 -178.565 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.51 ' HZ2' ' HB3' ' A' ' 19' ' ' LYS . 9.7 mtpm? -57.47 -45.11 85.19 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-O 120.99 0.424 . . . . 0.0 111.258 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -73.71 -32.15 63.76 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.396 -179.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.594 HG22 HD11 ' A' ' 40' ' ' ILE . 60.3 t -60.87 -37.66 77.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.701 -0.227 . . . . 0.0 110.395 174.42 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 92.4 mt -56.78 -40.28 75.6 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.739 0.304 . . . . 0.0 110.716 175.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 29.8 mmtp -57.26 -46.97 82.56 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.478 0.656 . . . . 0.0 110.139 176.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.547 ' HD2' ' HG2' ' A' ' 32' ' ' GLU . 70.3 mmtt -79.75 -20.69 45.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.937 -1.029 . . . . 0.0 111.879 -173.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.0 -31.89 68.55 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.122 0.487 . . . . 0.0 109.908 174.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -68.09 -42.36 80.47 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.232 174.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -66.53 -48.74 68.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.594 178.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.54 55.22 2.91 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.885 176.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.506 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 28.3 t70 -115.72 114.3 24.64 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 173.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -66.55 -30.56 70.9 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.346 -173.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -65.25 -48.95 71.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.142 0.496 . . . . 0.0 110.113 178.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.547 ' HG2' ' HD2' ' A' ' 24' ' ' LYS . 8.0 tp10 -63.0 -45.49 92.15 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.976 177.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 76.9 mt -59.58 -38.19 80.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.225 179.671 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.509 ' O ' ' HG2' ' A' ' 38' ' ' GLN . . . -65.27 -45.79 83.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.983 179.58 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 57.2 ttp85 -61.59 -46.37 90.13 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.731 177.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.526 ' HB3' HG21 ' A' ' 21' ' ' VAL . 95.4 mt -59.92 -45.2 93.34 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.377 177.556 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.491 ' O ' HG21 ' A' ' 41' ' ' VAL . 66.7 t30 -56.29 -44.11 79.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.925 177.198 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.509 ' HG2' ' O ' ' A' ' 34' ' ' ALA . 14.2 mm100 -57.69 -41.88 82.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.054 178.457 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -67.6 -41.97 83.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.557 179.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.594 HD11 HG22 ' A' ' 21' ' ' VAL . 83.1 mt -58.64 -49.85 81.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.72 178.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.494 HG12 HG21 ' A' ' 78' ' ' ILE . 98.3 t -55.04 -48.51 75.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.454 -177.344 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -64.04 -38.0 89.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.692 0.282 . . . . 0.0 111.47 -179.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.58 -47.18 67.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.649 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.461 ' O ' HG21 ' A' ' 48' ' ' VAL . 8.4 mm-40 -60.7 -38.42 84.95 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.871 178.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.47 ' HE2' HG13 ' A' ' 41' ' ' VAL . 66.3 mttm -59.0 -38.84 80.14 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.922 0.392 . . . . 0.0 110.83 177.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 46.0 tp60 -67.03 -39.23 86.95 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.742 -178.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.14 -44.96 94.96 Favored Glycine 0 N--CA 1.45 -0.392 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.768 176.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.484 HG22 ' HB3' ' A' ' 74' ' ' GLU . 99.3 t -57.56 -40.07 72.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.894 0.378 . . . . 0.0 110.751 177.745 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -65.37 -49.49 69.13 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.118 -179.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 33.1 m -69.71 -31.06 47.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 C-N-CA 121.122 -0.231 . . . . 0.0 111.424 -177.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -71.05 -37.86 72.53 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 121.185 -0.206 . . . . 0.0 110.984 176.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.3 mmtp -67.87 -38.56 83.23 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.393 177.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -62.61 -37.42 86.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.246 0.546 . . . . 0.0 109.663 175.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.552 ' HA ' ' HB3' ' A' ' 57' ' ' LYS . . . -68.43 -32.58 72.71 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.129 177.08 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.9 -39.73 94.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.797 0.332 . . . . 0.0 111.177 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -86.37 -7.11 58.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.459 0.647 . . . . 0.0 110.361 178.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.552 ' HB3' ' HA ' ' A' ' 54' ' ' ALA . 31.5 tptt -87.86 -20.81 25.51 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.007 -0.997 . . . . 0.0 109.863 174.49 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.26 137.9 57.8 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.412 -178.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.2 ttt180 -94.42 -24.92 17.14 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.818 -175.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.499 ' HB2' ' HG2' ' A' ' 63' ' ' LYS . 15.6 m120 -130.32 146.01 59.8 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.488 -175.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -54.76 -39.08 91.25 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.924 2.416 . . . . 0.0 112.398 176.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -59.18 -38.9 80.94 Favored 'General case' 0 N--CA 1.461 0.124 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.581 178.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.499 ' HG2' ' HB2' ' A' ' 60' ' ' ASN . 71.9 mmtt -75.16 -32.95 61.44 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.067 -179.118 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 32.9 ttt180 -62.26 -40.16 95.29 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.186 176.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -55.68 -44.41 77.31 Favored 'General case' 0 N--CA 1.455 -0.217 0 O-C-N 123.286 0.366 . . . . 0.0 111.226 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.9 t -62.56 -48.39 88.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.835 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 63.7 mt -69.46 -42.85 81.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.826 -178.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -59.97 -38.31 82.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.195 -178.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -59.63 -47.75 84.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.06 0.457 . . . . 0.0 110.756 -178.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.479 HG22 ' ND1' ' A' ' 107' ' ' HIS . 26.2 mt -73.62 -38.59 52.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.965 178.415 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -56.34 -48.19 77.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.892 0.377 . . . . 0.0 110.376 178.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.98 -41.99 94.95 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.156 179.484 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.458 ' O ' ' HB3' ' A' ' 76' ' ' LYS . 1.3 t70 -69.33 -37.37 77.67 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.915 -176.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.484 ' HB3' HG22 ' A' ' 48' ' ' VAL . 2.7 tp10 -68.25 -35.42 77.88 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.143 -176.497 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -65.8 -43.26 89.24 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 171.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.458 ' HB3' ' O ' ' A' ' 73' ' ' ASP . 33.7 ttmt -57.47 -39.44 76.39 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.031 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 63.2 m170 -59.34 -47.75 84.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.062 0.458 . . . . 0.0 110.534 177.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.494 HG21 HG12 ' A' ' 41' ' ' VAL . 61.1 mt -61.48 -48.54 88.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.556 -179.081 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -59.41 -36.95 76.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.373 178.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 15.0 t-105 -65.41 -52.29 54.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.582 179.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 25.4 m-70 -60.58 -35.69 76.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.913 177.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.402 ' HD2' ' O ' ' A' ' 82' ' ' LYS . 0.1 OUTLIER -66.78 -35.83 80.99 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 179.057 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.63 -20.65 65.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.597 -179.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.19 -10.83 60.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.681 -179.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 49.5 m -54.7 139.15 39.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.381 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 97.1 mttt 75.11 -27.09 0.19 Allowed 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.54 0.736 . . . . 0.0 112.485 175.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -68.33 -54.61 16.21 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 176.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 75.3 -106.88 2.18 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.871 -0.68 . . . . 0.0 112.038 178.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 17.4 m120 66.71 -176.82 0.2 Allowed 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 122.725 0.41 . . . . 0.0 110.966 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -141.07 -59.75 0.5 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.117 0.484 . . . . 0.0 110.289 178.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.457 ' CD ' ' H ' ' A' ' 91' ' ' GLU . 0.0 OUTLIER -62.11 -41.31 98.1 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.643 178.113 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.48 ' O ' ' HG ' ' A' ' 96' ' ' LEU . 50.7 mt-30 -68.1 -46.1 71.89 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.642 177.561 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.474 ' CE2' HD23 ' A' ' 33' ' ' LEU . 75.9 t80 -63.41 -38.24 90.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.751 -179.406 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.41 ' O ' ' HG3' ' A' ' 98' ' ' GLN . . . -57.71 -39.92 78.32 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.126 178.142 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.531 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 32.7 t -68.2 -38.05 81.57 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.34 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' A' ' 92' ' ' GLN . 65.5 mt -62.06 -43.03 99.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.81 -177.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.415 HG21 ' O ' ' A' ' 93' ' ' PHE . 38.9 t -64.22 -36.56 77.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.519 179.208 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.482 HE21 ' HA ' ' A' ' 95' ' ' SER . 50.4 mt-30 -65.37 -35.1 79.92 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.531 ' HG2' ' O ' ' A' ' 95' ' ' SER . 55.4 mm-40 -69.27 -42.36 75.66 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 178.373 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -64.16 -45.11 89.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.029 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.472 ' CD1' HG22 ' A' ' 15' ' ' ILE . 42.7 tp -59.82 -49.5 77.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.236 -178.763 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.665 ' HB3' HH21 ' A' ' 106' ' ' ARG . 7.6 mm-40 -64.92 -34.83 79.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.352 0.596 . . . . 0.0 110.711 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -66.08 -49.39 67.75 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.331 -0.849 . . . . 0.0 111.218 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.401 ' O ' HG21 ' A' ' 108' ' ' VAL . 10.1 mm-40 -67.34 -30.91 70.86 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.512 0.196 . . . . 0.0 110.8 -177.141 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.477 ' O ' ' HG3' ' A' ' 109' ' ' GLU . 54.8 mt-30 -61.27 -40.65 94.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.015 0.436 . . . . 0.0 110.171 175.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.665 HH21 ' HB3' ' A' ' 102' ' ' GLN . 21.3 mtm180 -72.12 -31.58 66.14 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.988 175.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.479 ' ND1' HG22 ' A' ' 70' ' ' ILE . 13.0 m170 -58.31 -46.84 85.39 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 174.071 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.401 HG21 ' O ' ' A' ' 104' ' ' GLU . 69.0 t -66.6 -37.77 80.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.127 178.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.544 ' HG2' ' HA ' ' A' ' 114' ' ' LYS . 32.4 mt-10 -59.81 -45.99 90.61 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -178.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -65.48 -29.92 70.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.741 0.305 . . . . 0.0 111.012 -178.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.517 HG21 HD23 ' A' ' 4' ' ' LEU . 48.9 mm -76.93 -58.67 4.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.873 177.442 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -106.12 -102.22 0.34 Allowed 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -176.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 55.9 mttp -132.26 -87.48 0.45 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.656 -172.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.544 ' HA ' ' HG2' ' A' ' 109' ' ' GLU . 31.6 mmmt -141.97 175.04 10.04 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 -179.4 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.594 ' N ' HD21 ' A' ' 115' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--O 1.244 0.79 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 176.21 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.482 1.152 0 CA-C-O 120.464 0.173 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -99.98 17.54 20.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.843 0.354 . . . . 0.0 111.138 -173.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.32 169.71 18.86 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.957 -174.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.629 ' O ' ' HG ' ' A' ' 8' ' ' LEU . 75.9 mt -82.06 55.99 2.99 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.085 0.469 . . . . 0.0 109.844 178.196 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 57.4 ttt180 -58.11 -45.33 87.43 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.441 -0.8 . . . . 0.0 112.192 -170.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -70.97 -35.02 71.97 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -177.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.449 HD11 ' HB3' ' A' ' 4' ' ' LEU . 56.3 mt -66.53 -30.92 71.35 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.001 0.429 . . . . 0.0 110.525 -178.108 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.629 ' HG ' ' O ' ' A' ' 4' ' ' LEU . 44.8 mt -62.58 -30.13 71.1 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.427 -178.588 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -60.18 -34.61 73.83 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.359 -174.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.87 -46.63 65.1 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.681 -175.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -64.6 -38.27 90.44 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 178.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 76.6 mm-40 -64.24 -42.36 96.57 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.194 176.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.445 ' O ' HG13 ' A' ' 17' ' ' ILE . 58.2 tp60 -60.89 -44.99 96.35 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.86 179.29 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.599 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -58.26 -46.48 92.81 Favored Glycine 0 N--CA 1.453 -0.193 0 C-N-CA 120.619 -0.801 . . . . 0.0 111.894 178.368 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.401 ' HA ' HD12 ' A' ' 18' ' ' LEU . 75.1 mt -61.34 -38.85 80.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.016 0.436 . . . . 0.0 110.946 177.728 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.1 tttp -62.77 -42.1 99.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.729 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.445 HG13 ' O ' ' A' ' 13' ' ' GLN . 62.9 mt -67.42 -37.93 79.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.328 178.158 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.599 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 95.6 mt -57.49 -39.12 75.74 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.799 179.3 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -58.59 -45.42 89.14 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 120.933 0.397 . . . . 0.0 110.892 178.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -65.32 -41.67 93.74 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.542 -178.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.525 HG21 HD12 ' A' ' 40' ' ' ILE . 91.1 t -62.81 -39.61 85.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.147 -179.24 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.604 HD11 HD21 ' A' ' 101' ' ' LEU . 92.4 mt -55.39 -45.8 76.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.823 0.344 . . . . 0.0 110.997 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -66.76 -48.11 70.09 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.769 179.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.869 ' HE2' ' HA ' ' A' ' 24' ' ' LYS . 8.3 mmpt? -69.71 -38.03 76.79 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.319 -173.455 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.52 ' HA ' HD12 ' A' ' 33' ' ' LEU . . . -71.54 -35.32 70.61 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.748 0.309 . . . . 0.0 111.036 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.451 ' HE3' ' HB3' ' A' ' 26' ' ' LYS . 0.8 OUTLIER -71.82 -37.24 70.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.336 177.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -71.69 -46.44 58.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.033 177.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 117.92 29.01 2.1 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.399 -0.905 . . . . 0.0 113.194 177.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.458 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 4.2 m-20 -81.49 68.61 7.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.207 0.527 . . . . 0.0 110.058 174.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.514 ' HA ' HD11 ' A' ' 33' ' ' LEU . 30.7 mt-10 -63.04 -35.64 80.89 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.655 -174.321 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 56.8 tp60 -67.38 -38.13 84.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.132 0.492 . . . . 0.0 110.639 179.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -71.54 -36.31 70.95 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.072 177.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.52 HD12 ' HA ' ' A' ' 25' ' ' ALA . 48.0 mt -55.7 -35.46 66.09 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 115.608 -0.723 . . . . 0.0 111.79 -178.61 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.68 -43.08 94.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.898 0.38 . . . . 0.0 110.867 178.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -69.44 -49.09 58.31 Favored 'General case' 0 N--CA 1.442 -0.864 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.116 177.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.53 ' O ' HG13 ' A' ' 40' ' ' ILE . 98.6 mt -59.39 -44.59 92.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.266 -175.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.497 HD21 ' HA ' ' A' ' 85' ' ' SER . 61.9 t30 -58.91 -46.28 88.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.879 -178.688 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -58.91 -44.46 91.24 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.405 -179.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -67.56 -31.39 71.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.54 -176.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.53 HG13 ' O ' ' A' ' 36' ' ' LEU . 75.2 mt -58.39 -49.89 80.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.981 0.42 . . . . 0.0 110.128 175.221 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.66 HG12 HG23 ' A' ' 78' ' ' ILE . 61.9 t -58.15 -45.68 88.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.948 -179.332 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -63.56 -44.88 92.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.471 -179.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.52 -47.06 65.02 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -175.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -64.85 -45.05 87.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.684 0.278 . . . . 0.0 111.05 -177.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.481 ' O ' HG12 ' A' ' 48' ' ' VAL . 56.9 tttt -69.87 -30.41 67.86 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.945 -176.339 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 46.4 tp60 -60.79 -45.38 94.59 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 173.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -69.27 -43.24 71.79 Favored Glycine 0 N--CA 1.448 -0.513 0 CA-C-N 115.4 -0.818 . . . . 0.0 113.043 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.481 HG12 ' O ' ' A' ' 45' ' ' LYS . 2.2 p -59.97 -37.1 70.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.119 0.485 . . . . 0.0 109.882 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.749 ' HA ' ' HE3' ' A' ' 49' ' ' LYS . 0.4 OUTLIER -59.56 -50.25 74.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.652 178.618 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.9 m -69.57 -32.45 52.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.825 -0.35 . . . . 0.0 111.518 -179.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.488 ' HB3' HD21 ' A' ' 71' ' ' LEU . 21.8 m-85 -65.27 -38.75 91.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.822 0.344 . . . . 0.0 110.287 173.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.576 ' HG3' HD23 ' A' ' 71' ' ' LEU . 95.2 mttt -66.97 -33.27 75.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.331 179.01 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -67.78 -42.63 81.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.142 0.496 . . . . 0.0 109.788 174.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.36 -32.85 74.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.832 178.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.24 -32.73 73.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.197 178.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -75.85 -15.77 60.17 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.074 0.464 . . . . 0.0 110.375 178.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.453 ' HG2' ' O ' ' A' ' 57' ' ' LYS . 49.0 tttm -112.77 17.69 18.84 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.706 0.765 . . . . 0.0 109.394 -178.297 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.448 ' O ' ' HB2' ' A' ' 59' ' ' ARG . . . -73.98 -26.73 60.62 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.742 -174.72 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.448 ' HB2' ' O ' ' A' ' 58' ' ' ALA . 24.0 mmt180 70.4 -62.2 0.44 Allowed 'General case' 0 N--CA 1.469 0.496 0 O-C-N 123.745 0.653 . . . . 0.0 111.219 -178.484 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.416 ' OD1' ' HB2' ' A' ' 62' ' ' GLU . 28.2 t-20 -91.09 125.2 59.42 Favored Pre-proline 0 C--N 1.32 -0.693 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.353 -179.225 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_endo -59.91 -33.17 95.94 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 123.325 2.683 . . . . 0.0 113.079 -175.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.416 ' HB2' ' OD1' ' A' ' 60' ' ' ASN . 43.1 mt-10 -67.79 -30.47 69.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.726 -0.215 . . . . 0.0 111.223 -177.483 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt -75.0 -34.27 61.94 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 176.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 23.1 ttt180 -69.01 -34.63 75.58 Favored 'General case' 0 C--O 1.22 -0.492 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.874 175.104 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -55.67 -44.12 76.98 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 120.905 0.383 . . . . 0.0 111.046 177.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.722 HG12 ' HG3' ' A' ' 110' ' ' GLU . 97.1 t -60.91 -52.09 65.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.768 178.144 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.567 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 55.8 mt -66.07 -44.4 91.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.045 -178.083 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.442 ' HA ' HD11 ' A' ' 71' ' ' LEU . 31.7 t70 -59.73 -36.92 77.57 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 122.896 0.479 . . . . 0.0 111.753 -176.437 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.411 ' O ' ' HD3' ' A' ' 69' ' ' LYS . 9.2 tmtt? -59.13 -45.05 91.94 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 177.585 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.456 HG23 ' ND1' ' A' ' 107' ' ' HIS . 43.9 mt -71.75 -37.88 64.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.987 176.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.576 HD23 ' HG3' ' A' ' 52' ' ' LYS . 71.8 mt -55.64 -49.62 72.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.158 0.504 . . . . 0.0 110.958 176.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -69.3 -35.75 76.32 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.101 179.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.488 ' HB3' ' CE1' ' A' ' 107' ' ' HIS . 0.5 OUTLIER -63.44 -50.19 70.75 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.999 179.281 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.421 ' O ' HG13 ' A' ' 78' ' ' ILE . 3.3 tp10 -63.08 -35.96 81.99 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.071 -0.968 . . . . 0.0 109.827 -175.484 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.58 -34.86 77.83 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.253 0.549 . . . . 0.0 110.424 174.674 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 25.1 tptp -67.52 -31.6 71.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.137 178.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.427 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 43.7 m170 -70.99 -48.1 55.11 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.573 0.701 . . . . 0.0 109.954 177.238 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.66 HG23 HG12 ' A' ' 41' ' ' VAL . 93.1 mt -62.11 -42.42 95.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 114.75 -1.114 . . . . 0.0 112.282 -173.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' A' ' 80' ' ' TRP . 4.5 pt-20 -56.8 -35.54 68.86 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.944 0.402 . . . . 0.0 110.747 179.057 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.507 ' CZ2' HD12 ' A' ' 96' ' ' LEU . 15.5 t-105 -71.44 -58.28 3.66 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.732 179.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 49.1 m-70 -59.61 -40.5 87.72 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -175.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -64.56 -41.23 96.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.73 0.3 . . . . 0.0 110.668 -178.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.94 -33.47 68.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.049 0.452 . . . . 0.0 111.128 178.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.42 -9.67 58.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.702 -0.681 . . . . 0.0 112.701 -176.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.497 ' HA ' HD21 ' A' ' 37' ' ' ASN . 19.7 m -48.8 94.94 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -177.294 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -153.92 160.78 42.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.247 178.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.408 ' HG2' ' O ' ' A' ' 87' ' ' GLN . 0.7 OUTLIER -101.73 104.67 15.48 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 174.096 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.429 ' O ' ' HB2' ' A' ' 89' ' ' ASN . . . 150.76 -153.09 24.8 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.025 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.429 ' HB2' ' O ' ' A' ' 88' ' ' GLY . 0.9 OUTLIER 73.42 -55.66 0.67 Allowed 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.419 0.688 . . . . 0.0 111.768 178.321 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 59.6 -94.91 0.05 Allowed 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 176.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' A' ' 92' ' ' GLN . 13.7 pt-20 -64.11 -44.89 90.88 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -170.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.406 ' N ' ' HG3' ' A' ' 91' ' ' GLU . 19.0 pt20 -68.09 -34.36 76.26 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.113 0.482 . . . . 0.0 110.027 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.42 ' O ' HG23 ' A' ' 97' ' ' VAL . 86.4 t80 -66.11 -46.54 77.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.99 177.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.444 ' HB1' ' HB2' ' A' ' 25' ' ' ALA . . . -58.32 -42.46 86.81 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.351 178.74 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 50.0 m -60.75 -40.6 93.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.104 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.507 HD12 ' CZ2' ' A' ' 80' ' ' TRP . 73.5 mt -72.26 -33.24 67.35 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.167 -178.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 93' ' ' PHE . 98.5 t -71.72 -35.62 56.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.154 0.502 . . . . 0.0 110.486 175.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.39 -44.02 84.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.163 179.439 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -66.89 -34.1 77.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.802 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.427 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 6.7 t-160 -60.24 -43.87 95.72 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 175.17 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.604 HD21 HD11 ' A' ' 22' ' ' LEU . 40.3 tp -60.19 -45.58 92.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.967 179.119 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -61.51 -39.92 92.73 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-O 121.151 0.501 . . . . 0.0 110.575 178.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -59.97 -48.78 80.29 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.475 179.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -64.57 -20.3 66.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.28 -176.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.45 ' HG3' ' O ' ' A' ' 101' ' ' LEU . 77.8 mt-30 -63.15 -38.53 91.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.96 0.409 . . . . 0.0 109.94 176.746 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 25.0 mmt180 -70.07 -33.19 71.6 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.157 175.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.488 ' CE1' ' HB3' ' A' ' 73' ' ' ASP . 14.3 m170 -60.44 -50.21 74.49 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.022 177.543 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 58.1 t -63.09 -40.8 90.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.442 -178.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.652 ' O ' ' HG2' ' A' ' 113' ' ' LYS . 21.2 mt-10 -58.0 -48.67 79.34 Favored 'General case' 0 CA--C 1.519 -0.213 0 N-CA-C 111.627 0.232 . . . . 0.0 111.627 -178.712 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.722 ' HG3' HG12 ' A' ' 66' ' ' VAL . 14.5 tp10 -70.53 -33.45 71.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.887 0.375 . . . . 0.0 110.313 -176.205 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.473 HG12 ' O ' ' A' ' 107' ' ' HIS . 28.7 mm -56.92 -48.86 80.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.074 173.304 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.517 ' HA ' ' HB3' ' A' ' 115' ' ' ASN . 47.7 mt-10 -75.42 -11.41 60.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.895 -176.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.652 ' HG2' ' O ' ' A' ' 109' ' ' GLU . 34.6 mmtp -73.41 -34.31 65.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.266 0.555 . . . . 0.0 109.744 174.005 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -98.32 -5.7 32.38 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.466 -179.159 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.517 ' HB3' ' HA ' ' A' ' 112' ' ' GLU . 27.3 t-20 . . . . . 0 C--O 1.246 0.888 0 CA-C-O 118.455 -0.784 . . . . 0.0 110.744 -177.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 mpp? . . . . . 0 N--CA 1.482 1.137 0 CA-C-O 120.819 0.342 . . . . 0.0 110.214 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.418 ' O ' ' HG2' ' A' ' 6' ' ' GLU . 1.7 m-20 -94.47 108.76 20.68 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.105 0.478 . . . . 0.0 110.428 -178.429 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -56.61 123.03 13.46 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.312 -175.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.8 mt 70.56 -44.48 0.58 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.347 -0.842 . . . . 0.0 112.619 178.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -58.44 -51.21 70.79 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -170.38 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.633 ' HG3' HD11 ' A' ' 7' ' ' LEU . 11.8 pt-20 -72.35 -35.31 68.51 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.37 -0.532 . . . . 0.0 111.523 -179.485 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.633 HD11 ' HG3' ' A' ' 6' ' ' GLU . 6.9 mp -68.72 -43.15 76.58 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.611 0.243 . . . . 0.0 111.141 -177.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.55 ' O ' ' HG2' ' A' ' 12' ' ' GLN . 55.3 mt -64.8 -33.82 76.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.932 -179.623 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 53.0 tttp -59.03 -38.2 78.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.535 -173.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.18 -46.32 74.33 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 111.548 0.203 . . . . 0.0 111.548 -177.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -64.37 -37.71 88.47 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 121.007 0.432 . . . . 0.0 109.946 178.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.55 ' HG2' ' O ' ' A' ' 8' ' ' LEU . 85.3 mm-40 -66.28 -43.36 86.63 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.8 176.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.44 ' O ' HG13 ' A' ' 17' ' ' ILE . 8.4 mm-40 -62.34 -41.32 98.47 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.505 -179.432 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.591 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -58.66 -46.38 93.41 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.699 -0.763 . . . . 0.0 111.987 179.334 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.447 ' HA ' HD13 ' A' ' 18' ' ' LEU . 68.2 mt -61.27 -42.1 92.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.818 0.342 . . . . 0.0 110.779 178.366 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.743 ' HA ' ' HE2' ' A' ' 19' ' ' LYS . 80.1 tttt -58.25 -47.44 83.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.666 178.597 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.557 ' O ' HG22 ' A' ' 21' ' ' VAL . 70.5 mt -63.47 -39.46 85.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.443 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.591 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 95.7 mt -56.75 -39.49 74.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.289 -178.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.743 ' HE2' ' HA ' ' A' ' 16' ' ' LYS . 42.9 mtmt -61.15 -45.86 92.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.28 0.562 . . . . 0.0 110.591 179.409 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.02 -32.18 63.26 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.621 -177.539 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.566 HG21 HD12 ' A' ' 40' ' ' ILE . 64.9 t -59.85 -49.77 82.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.795 -0.184 . . . . 0.0 111.181 177.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 19' ' ' LYS . 4.3 pp -66.69 -34.25 77.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.335 0.588 . . . . 0.0 109.783 177.076 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.17 -47.65 85.21 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.422 178.726 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 32.9 tptt -78.12 -22.33 49.03 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.872 -175.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.512 ' HA ' HD13 ' A' ' 33' ' ' LEU . . . -64.64 -36.01 82.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.49 177.099 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -71.83 -27.43 62.9 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.452 177.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -74.04 -43.17 58.81 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.073 176.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.8 37.68 5.16 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.687 -0.768 . . . . 0.0 114.337 169.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -97.19 106.26 18.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 117.526 0.663 . . . . 0.0 109.476 172.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -66.93 -38.74 86.73 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.487 -175.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -63.64 -44.17 94.65 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 120.807 0.337 . . . . 0.0 110.642 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.492 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 7.6 tp10 -64.35 -47.21 80.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.889 176.626 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.512 HD13 ' HA ' ' A' ' 25' ' ' ALA . 25.5 mt -56.82 -40.77 76.61 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.821 -179.633 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.18 -45.5 91.48 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.757 0.313 . . . . 0.0 110.981 178.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 13.5 ttp180 -66.37 -41.66 89.12 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.063 178.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.532 ' HB3' HG23 ' A' ' 21' ' ' VAL . 97.7 mt -59.87 -45.45 92.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.789 0.328 . . . . 0.0 110.605 178.314 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -59.82 -42.87 94.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.271 178.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 64.8 mm-40 -66.67 -36.84 83.49 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.378 177.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -67.04 -37.59 84.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.737 -178.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.566 HD12 HG21 ' A' ' 21' ' ' VAL . 74.9 mt -56.94 -47.04 83.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.248 176.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 94.7 t -54.07 -48.18 65.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.889 179.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.417 ' HD3' ' HA ' ' A' ' 42' ' ' LYS . 51.2 mmtt -63.29 -45.67 90.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.767 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.03 -46.77 86.0 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.395 -177.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.5 ' O ' HG22 ' A' ' 48' ' ' VAL . 4.8 mt-10 -71.21 -35.74 71.63 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.416 -178.284 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.512 ' HZ1' ' CD ' ' A' ' 75' ' ' GLU . 18.2 mmtm -59.23 -41.24 88.2 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 120.777 0.323 . . . . 0.0 111.333 176.24 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 47.1 tp60 -63.2 -40.65 98.11 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.43 -41.58 97.97 Favored Glycine 0 N--CA 1.451 -0.367 0 CA-C-N 115.716 -0.674 . . . . 0.0 112.057 177.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.5 HG22 ' O ' ' A' ' 44' ' ' GLU . 92.6 t -58.3 -47.45 87.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.555 0.217 . . . . 0.0 111.183 178.181 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 74.3 tttt -63.06 -45.67 91.07 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.71 -0.223 . . . . 0.0 111.574 -176.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 33.8 m -69.72 -30.59 45.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 120.72 0.295 . . . . 0.0 110.996 -179.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.417 ' HE1' ' HB3' ' A' ' 7' ' ' LEU . 5.5 m-30 -68.06 -39.95 82.89 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 174.665 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.44 ' CG ' HD13 ' A' ' 71' ' ' LEU . 25.7 mtpp -60.71 -38.85 86.45 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.034 176.239 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -57.11 -47.42 81.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.582 177.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.05 -38.67 66.4 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.771 179.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.91 -47.97 70.11 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -176.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -75.41 -7.51 54.26 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.932 0.396 . . . . 0.0 111.494 -179.273 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -120.44 20.75 11.83 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.506 178.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -79.62 130.41 35.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.265 0.555 . . . . 0.0 112.113 -173.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 60.4 ttt180 -93.92 -31.27 14.36 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.459 175.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -99.07 116.65 65.08 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.327 -179.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -68.15 -32.89 26.32 Favored 'Trans proline' 0 C--O 1.234 0.318 0 C-N-CA 122.954 2.436 . . . . 0.0 112.913 -176.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -64.24 -45.37 88.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.88 -175.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -75.81 -31.51 59.44 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.767 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -64.87 -36.82 85.58 Favored 'General case' 0 C--O 1.221 -0.429 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 179.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.78 -44.9 90.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.867 0.365 . . . . 0.0 110.234 177.235 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 54.3 t -62.98 -50.07 81.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.485 178.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 80.8 mt -61.32 -44.9 99.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.808 179.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -56.07 -48.94 75.11 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 123.046 0.538 . . . . 0.0 111.292 -176.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.499 ' HA ' ' HE3' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -67.82 -44.6 76.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.814 -178.582 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.458 HG23 ' ND1' ' A' ' 107' ' ' HIS . 31.4 mt -68.66 -38.39 78.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.677 0.275 . . . . 0.0 111.059 -179.704 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.44 HD13 ' CG ' ' A' ' 52' ' ' LYS . 6.7 tt -56.29 -49.08 75.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.454 0.645 . . . . 0.0 109.625 174.017 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -64.37 -39.03 93.08 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.989 -179.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.452 ' HB3' ' HE1' ' A' ' 107' ' ' HIS . 0.8 OUTLIER -66.47 -44.21 83.33 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.422 178.487 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -60.93 -38.63 86.49 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.109 -0.951 . . . . 0.0 110.619 -175.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.512 ' CD ' ' HZ1' ' A' ' 45' ' ' LYS . 4.7 tp10 -69.9 -35.0 74.26 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-O 121.291 0.567 . . . . 0.0 110.173 175.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -63.95 -33.31 75.44 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.398 178.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.41 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 62.5 m170 -60.16 -48.33 82.18 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.304 0.573 . . . . 0.0 110.376 176.137 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.5 HD12 ' HG2' ' A' ' 45' ' ' LYS . 73.7 mt -64.26 -42.24 94.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.663 -177.345 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -57.7 -40.37 79.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.552 175.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 25.2 t-105 -67.2 -51.12 57.3 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -56.04 -40.08 72.96 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 120.757 0.313 . . . . 0.0 111.188 178.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 26.2 ttmt -63.08 -48.19 79.69 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.801 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.08 -29.91 65.89 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.709 -176.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.25 -11.9 60.17 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.918 0.39 . . . . 0.0 111.326 -178.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.6 m -85.12 42.75 0.96 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.975 0.417 . . . . 0.0 111.257 -177.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -107.44 -60.37 1.7 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.293 178.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 9.7 tm0? -160.47 123.89 3.47 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 178.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 124.68 67.75 0.2 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.051 178.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.534 ' HA ' ' HB2' ' A' ' 93' ' ' PHE . 9.6 p30 -107.91 -172.18 2.01 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.571 0.224 . . . . 0.0 110.484 -177.438 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 62.5 -91.26 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 115.703 -0.681 . . . . 0.0 112.097 -179.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -69.82 -48.98 56.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.861 0.362 . . . . 0.0 110.938 -173.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.431 ' O ' ' HG ' ' A' ' 96' ' ' LEU . 25.6 mt-30 -69.49 -35.62 75.74 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.308 0.575 . . . . 0.0 110.087 177.586 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.534 ' HB2' ' HA ' ' A' ' 89' ' ' ASN . 55.4 t80 -62.69 -45.52 92.4 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.024 -0.989 . . . . 0.0 111.169 -177.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.15 -36.96 83.4 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.8 0.333 . . . . 0.0 110.942 179.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 17.6 m -64.4 -35.83 82.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.733 178.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 92' ' ' GLN . 94.2 mt -68.66 -35.78 77.69 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.594 178.432 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.492 HG21 ' O ' ' A' ' 93' ' ' PHE . 57.4 t -62.7 -38.53 81.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.018 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -60.19 -38.15 82.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.816 0.341 . . . . 0.0 111.006 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -70.27 -42.39 72.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.421 -179.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.417 ' O ' ' HG2' ' A' ' 104' ' ' GLU . 4.3 t-160 -63.27 -43.43 97.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.787 178.368 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.462 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 44.3 tp -61.53 -48.12 82.46 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.319 -178.512 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -60.27 -41.16 92.69 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-O 121.288 0.566 . . . . 0.0 110.416 178.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -61.1 -49.13 78.55 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.301 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.417 ' HG2' ' O ' ' A' ' 100' ' ' HIS . 18.4 mm-40 -65.99 -26.84 67.73 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.205 -177.064 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.462 ' HG3' ' O ' ' A' ' 101' ' ' LEU . 78.3 mt-30 -60.88 -46.64 89.81 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 175.123 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 31.3 mmm180 -66.8 -31.81 72.68 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.268 178.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.485 ' O ' HG12 ' A' ' 111' ' ' ILE . 10.7 m170 -59.33 -50.87 72.34 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.975 0.417 . . . . 0.0 110.128 175.245 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 95.5 t -67.79 -43.33 86.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.393 -178.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.455 ' HG3' ' O ' ' A' ' 105' ' ' GLN . 46.2 mt-10 -58.85 -35.63 73.24 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 120.799 0.333 . . . . 0.0 110.974 179.08 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 19.8 tp10 -71.71 -45.03 63.11 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.708 178.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.485 HG12 ' O ' ' A' ' 107' ' ' HIS . 33.4 mm -62.28 -60.67 2.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-O 121.04 0.448 . . . . 0.0 111.067 179.65 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -95.3 68.16 3.02 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-O 121.475 0.655 . . . . 0.0 110.686 -170.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -49.68 -45.14 48.42 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.652 -1.158 . . . . 0.0 111.11 174.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -115.65 90.39 3.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.069 179.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 37.8 t-20 . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.094 -0.955 . . . . 0.0 108.561 173.635 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 tmt? . . . . . 0 N--CA 1.483 1.181 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 55.16 54.94 8.14 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.306 -0.861 . . . . 0.0 112.998 165.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -62.24 -37.56 85.86 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 171.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.587 ' O ' ' HG ' ' A' ' 8' ' ' LEU . 44.1 tp 73.26 -66.69 0.3 Allowed 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 114.47 -1.241 . . . . 0.0 112.464 172.151 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 20.8 mtp180 -58.97 -50.58 73.52 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -170.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -71.21 -35.06 71.4 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.173 0.511 . . . . 0.0 110.295 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 22.3 mt -65.96 -42.27 90.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.518 -173.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.587 ' HG ' ' O ' ' A' ' 4' ' ' LEU . 80.2 mt -63.57 -30.87 71.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.03 0.443 . . . . 0.0 111.477 -176.775 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -60.91 -33.49 73.21 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.847 -176.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.06 -46.43 87.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.772 -0.195 . . . . 0.0 111.482 -178.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -66.2 -37.28 85.21 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.791 0.329 . . . . 0.0 110.219 177.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 78.2 mm-40 -61.75 -43.09 99.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.342 175.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -62.73 -43.12 99.62 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.184 178.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.555 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -59.89 -47.64 90.01 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.557 -0.83 . . . . 0.0 111.992 179.201 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 76.5 mt -64.47 -41.35 92.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.143 0.496 . . . . 0.0 110.074 178.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.401 ' HA ' ' HD3' ' A' ' 19' ' ' LYS . 87.9 tttt -57.13 -45.71 83.28 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.145 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.457 ' O ' HG21 ' A' ' 21' ' ' VAL . 67.2 mt -69.51 -40.29 79.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.789 178.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 95.2 mt -58.2 -42.47 86.22 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 120.911 0.386 . . . . 0.0 110.58 177.106 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.401 ' HD3' ' HA ' ' A' ' 16' ' ' LYS . 53.8 mtpt -56.72 -36.94 70.29 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.174 175.103 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -69.91 -39.99 75.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.394 177.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.457 HG21 ' O ' ' A' ' 17' ' ' ILE . 60.0 t -60.45 -39.77 82.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.121 177.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 95.9 mt -55.94 -41.94 75.42 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 177.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.7 mmmt -72.22 -46.78 54.7 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.093 179.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.562 ' HG2' ' HG2' ' A' ' 32' ' ' GLU . 1.6 mptm? -72.48 -18.2 61.69 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -175.38 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.62 98.42 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.831 0.348 . . . . 0.0 110.575 176.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -72.07 -19.67 61.78 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.782 -179.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.454 ' CG ' ' HA ' ' A' ' 24' ' ' LYS . 33.1 mm-40 -62.07 -26.59 68.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.969 0.414 . . . . 0.0 110.453 177.42 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 74.75 30.71 59.32 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.961 -0.637 . . . . 0.0 112.447 178.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.404 ' OD2' ' HB3' ' A' ' 31' ' ' GLN . 22.9 t70 -121.92 120.66 35.12 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.066 0.46 . . . . 0.0 110.592 -179.408 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -87.26 -18.53 30.01 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.72 -175.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.404 ' HB3' ' OD2' ' A' ' 29' ' ' ASP . 7.8 tt0 -63.08 -47.74 81.62 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.029 176.082 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.562 ' HG2' ' HG2' ' A' ' 24' ' ' LYS . 3.9 tp10 -65.17 -42.66 93.46 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.44 175.249 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 76.4 mt -56.75 -44.03 81.34 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.118 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.74 -44.82 96.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.657 178.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -59.6 -49.94 75.79 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.087 177.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.544 ' O ' HG13 ' A' ' 40' ' ' ILE . 88.4 mt -63.01 -44.32 96.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.726 -179.084 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.452 ' HA ' HD11 ' A' ' 40' ' ' ILE . 6.6 t30 -57.96 -40.56 80.87 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.715 -179.073 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -68.74 -39.57 80.27 Favored 'General case' 0 N--CA 1.437 -1.122 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.057 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -66.8 -32.23 73.38 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.648 -0.251 . . . . 0.0 110.788 178.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.544 HG13 ' O ' ' A' ' 36' ' ' LEU . 87.9 mt -57.79 -49.64 80.24 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.121 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 173.475 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.478 HG22 HG22 ' A' ' 78' ' ' ILE . 95.4 t -56.52 -46.55 82.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.872 177.074 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -62.54 -44.45 96.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.271 -179.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.73 -47.19 63.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.4 -177.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.47 ' O ' HG21 ' A' ' 48' ' ' VAL . 42.7 mt-10 -66.33 -41.32 89.8 Favored 'General case' 0 C--O 1.223 -0.327 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.906 -177.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.537 ' HA ' ' HB ' ' A' ' 48' ' ' VAL . 49.6 mttt -69.72 -28.57 65.93 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 178.656 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 22.2 tp60 -59.39 -42.28 91.35 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 170.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -68.83 -45.62 63.77 Favored Glycine 0 N--CA 1.45 -0.432 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.967 173.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.537 ' HB ' ' HA ' ' A' ' 45' ' ' LYS . 69.1 t -54.18 -38.26 38.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.506 0.193 . . . . 0.0 110.827 177.308 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 49.4 tptt -56.93 -52.4 65.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.024 -179.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 16.9 m -72.51 -35.33 50.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.959 -178.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -72.12 -37.35 69.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.767 -0.197 . . . . 0.0 111.513 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.453 ' HE2' HD13 ' A' ' 71' ' ' LEU . 33.4 ttmt -65.85 -32.52 74.09 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.162 0.506 . . . . 0.0 110.033 178.178 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.84 -44.53 76.97 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.594 173.466 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.01 -32.53 69.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.143 -0.935 . . . . 0.0 112.442 -176.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.414 ' O ' ' HG2' ' A' ' 64' ' ' ARG . . . -58.1 -37.73 75.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.088 0.47 . . . . 0.0 111.856 -177.44 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -91.31 8.88 33.84 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.451 -178.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -144.95 26.5 1.36 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.611 0.72 . . . . 0.0 109.914 -174.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.96 -13.76 59.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.43 -0.805 . . . . 0.0 112.381 -174.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 54.8 mmm-85 71.58 -63.26 0.43 Allowed 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.196 0.598 . . . . 0.0 111.509 178.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -88.24 141.5 30.96 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.952 -178.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_endo -58.94 -36.0 97.62 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.828 2.352 . . . . 0.0 112.433 178.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.2 tt0 -64.4 -44.78 90.2 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-O 120.848 0.356 . . . . 0.0 110.296 179.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -62.76 -42.85 99.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.828 178.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.447 ' NH1' ' HB2' ' A' ' 68' ' ' ASP . 0.1 OUTLIER -60.68 -41.65 95.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.512 -178.515 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.69 -45.43 65.01 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.328 -179.681 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 79.7 t -62.06 -48.19 89.64 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-O 120.825 0.345 . . . . 0.0 110.927 -178.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 78.7 mt -61.8 -40.75 88.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.551 179.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.447 ' HB2' ' NH1' ' A' ' 64' ' ' ARG . 24.1 t70 -63.08 -45.08 93.8 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.792 0.33 . . . . 0.0 111.059 -178.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 50.5 tttp -58.76 -46.54 87.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.748 -179.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.419 HG23 ' ND1' ' A' ' 107' ' ' HIS . 22.9 mt -72.77 -38.61 58.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.311 179.422 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.453 HD13 ' HE2' ' A' ' 52' ' ' LYS . 2.1 tm? -58.92 -48.64 80.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.878 0.371 . . . . 0.0 110.179 179.309 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -65.02 -36.69 85.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.255 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.442 ' O ' ' HB3' ' A' ' 76' ' ' LYS . 0.9 OUTLIER -70.92 -41.51 71.1 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.482 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -63.97 -41.61 97.5 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.19 -177.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -66.86 -34.55 78.05 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 121.362 0.601 . . . . 0.0 109.682 175.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.442 ' HB3' ' O ' ' A' ' 73' ' ' ASP . 31.9 ttmt -63.5 -40.31 96.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.756 177.416 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.5 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 56.3 m170 -61.07 -47.73 85.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.614 0.721 . . . . 0.0 109.764 177.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.505 ' CD1' ' HG3' ' A' ' 45' ' ' LYS . 76.7 mt -64.21 -44.76 97.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 114.786 -1.097 . . . . 0.0 112.062 -175.525 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.424 ' HG2' ' HA ' ' A' ' 76' ' ' LYS . 4.6 pt-20 -64.01 -32.02 73.42 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.21 178.207 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 22.7 t-105 -68.18 -54.12 20.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.082 177.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 37.1 m-70 -60.27 -39.13 85.75 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.232 -0.44 . . . . 0.0 112.041 178.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 51.6 tptt -60.63 -42.93 97.87 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.675 0.274 . . . . 0.0 110.764 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.01 -43.03 79.76 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.237 -178.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.4 -18.77 59.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.506 -177.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.437 ' HB2' ' ND2' ' A' ' 37' ' ' ASN . 47.9 t -62.18 -20.92 64.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.768 -177.367 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.516 ' HB2' ' HZ1' ' A' ' 86' ' ' LYS . 10.4 mtmp? -117.53 23.2 11.92 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.802 0.334 . . . . 0.0 111.12 -176.763 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -118.84 139.93 50.8 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.674 0.273 . . . . 0.0 110.67 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -80.63 102.56 2.12 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.265 176.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.513 ' OD1' ' HB2' ' A' ' 92' ' ' GLN . 23.0 t-20 -137.65 -56.57 0.68 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.727 0.298 . . . . 0.0 111.098 -173.567 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 67.89 -80.46 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 177.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -68.77 -47.81 65.27 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 -167.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.513 ' HB2' ' OD1' ' A' ' 89' ' ' ASN . 2.0 mp0 -67.86 -33.75 75.37 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.984 0.421 . . . . 0.0 110.085 -178.495 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.456 ' O ' HG21 ' A' ' 97' ' ' VAL . 72.6 t80 -55.7 -38.36 69.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.786 175.196 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.77 -38.56 88.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.9 178.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 35.6 m -68.47 -33.23 73.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.452 177.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.446 HD12 ' HA ' ' A' ' 93' ' ' PHE . 85.3 mt -65.42 -34.24 77.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.545 178.551 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.456 HG21 ' O ' ' A' ' 93' ' ' PHE . 49.2 t -64.78 -37.07 79.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.322 177.537 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -62.49 -38.36 89.6 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 176.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -63.92 -41.82 97.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.948 0.404 . . . . 0.0 110.201 177.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.5 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 4.3 t-160 -65.47 -42.97 91.67 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.903 179.503 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.472 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 0.2 OUTLIER -58.31 -46.83 85.41 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.931 178.719 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -68.13 -35.6 78.36 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.895 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -65.96 -47.38 74.78 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.994 -177.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.421 ' O ' HG22 ' A' ' 108' ' ' VAL . 40.9 mm-40 -64.62 -24.48 67.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.608 0.242 . . . . 0.0 110.796 -177.371 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.472 ' HG3' ' O ' ' A' ' 101' ' ' LEU . 77.9 mt-30 -64.17 -37.24 86.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.972 0.415 . . . . 0.0 109.945 175.225 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 4.4 tpm_? -66.71 -38.69 87.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.396 174.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.601 ' O ' HG13 ' A' ' 111' ' ' ILE . 17.0 m170 -60.22 -49.87 75.9 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.129 177.003 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.421 HG22 ' O ' ' A' ' 104' ' ' GLU . 76.0 t -59.57 -43.18 90.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.56 -179.368 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -63.1 -34.04 76.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.788 0.328 . . . . 0.0 111.284 178.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.74 -34.17 73.45 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.879 177.423 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.601 HG13 ' O ' ' A' ' 107' ' ' HIS . 44.5 mt -81.23 -60.32 2.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.512 -177.506 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -81.03 50.74 1.44 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.62 0.724 . . . . 0.0 110.741 -175.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -67.93 -42.1 81.57 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.096 -0.957 . . . . 0.0 110.839 179.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -129.29 25.31 5.49 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.275 0.559 . . . . 0.0 110.259 -178.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 9.0 t30 . . . . . 0 C--O 1.246 0.876 0 CA-C-O 118.495 -0.764 . . . . 0.0 109.625 -178.519 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.0 ptt? . . . . . 0 N--CA 1.479 1.015 0 CA-C-O 120.74 0.305 . . . . 0.0 110.356 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -120.38 120.34 35.7 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.043 -178.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -133.31 -68.6 0.58 Allowed 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 178.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.686 ' HG ' HD12 ' A' ' 7' ' ' LEU . 8.3 mp 61.49 18.7 9.66 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.486 177.696 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 13.1 ttp180 -57.94 -49.81 75.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.516 -176.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -70.1 -34.42 73.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.826 0.346 . . . . 0.0 111.112 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.686 HD12 ' HG ' ' A' ' 4' ' ' LEU . 72.7 mt -64.91 -28.99 69.91 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.651 -174.506 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 4' ' ' LEU . 95.8 mt -62.66 -31.59 72.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.817 0.342 . . . . 0.0 111.595 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -61.1 -34.44 74.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.577 -177.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.78 -47.11 85.85 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.871 0.323 . . . . 0.0 111.871 -176.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.431 ' O ' HG13 ' A' ' 15' ' ' ILE . 6.0 tp10 -68.98 -41.51 77.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.948 0.404 . . . . 0.0 110.001 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -60.01 -42.99 95.51 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.232 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 57.1 tp60 -61.19 -43.67 98.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.62 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.486 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -59.91 -46.0 94.88 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.872 -0.68 . . . . 0.0 111.918 178.017 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.498 ' HA ' HD12 ' A' ' 18' ' ' LEU . 67.8 mt -62.25 -39.39 83.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.862 0.363 . . . . 0.0 110.888 179.308 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? -61.17 -46.21 91.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.073 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 64.4 mt -64.68 -37.6 80.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.75 179.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.528 ' HB3' HD21 ' A' ' 101' ' ' LEU . 95.7 mt -57.87 -37.6 74.22 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.123 177.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -62.99 -36.39 83.36 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.092 179.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -72.27 -35.08 68.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.166 0.507 . . . . 0.0 109.938 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.569 HG21 HD12 ' A' ' 40' ' ' ILE . 99.4 t -63.1 -39.6 85.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.917 178.064 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 95.9 mt -55.73 -35.66 66.38 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.824 177.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -71.16 -47.49 57.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.501 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 64.2 mmtt -69.04 -28.63 66.72 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.823 -177.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.88 -40.81 95.7 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.004 0.431 . . . . 0.0 110.612 177.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -72.78 -25.8 61.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.661 177.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -70.33 -42.62 71.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.962 0.41 . . . . 0.0 110.018 173.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.49 33.35 9.38 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.933 -0.651 . . . . 0.0 113.041 174.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.433 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 11.6 t70 -103.01 100.51 10.45 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 175.067 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.4 ' HB3' ' HA3' ' A' ' 88' ' ' GLY . 34.0 mt-10 -70.59 -20.72 62.74 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.444 -174.354 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -70.33 -48.56 55.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.079 0.466 . . . . 0.0 109.941 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.428 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 48.7 mt-10 -67.49 -38.37 84.25 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.387 176.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 75.2 mt -58.53 -44.1 89.45 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.264 178.442 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.05 -41.72 98.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.868 178.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 63.9 ttt180 -67.03 -38.55 86.11 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 120.7 0.286 . . . . 0.0 110.65 177.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.545 ' O ' HG13 ' A' ' 40' ' ' ILE . 87.5 mt -61.83 -40.32 94.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.249 176.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.523 ' O ' HG21 ' A' ' 41' ' ' VAL . 81.9 m-20 -55.74 -46.99 77.68 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.29 175.542 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -58.69 -44.74 90.38 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.127 176.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 27.6 tp10 -63.85 -38.96 93.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.312 -178.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.569 HD12 HG21 ' A' ' 21' ' ' VAL . 85.9 mt -61.99 -49.12 85.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.368 176.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.557 HG22 HG23 ' A' ' 78' ' ' ILE . 93.4 t -53.78 -45.0 61.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.968 178.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.471 ' HE2' ' O ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -61.89 -43.26 99.22 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.477 179.645 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.67 -46.91 65.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.664 -177.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.43 ' O ' HG21 ' A' ' 48' ' ' VAL . 43.1 mt-10 -68.06 -40.39 82.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.148 -177.282 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.477 ' HG3' HD11 ' A' ' 78' ' ' ILE . 50.8 mttm -62.59 -30.16 71.13 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 116.76 -0.2 . . . . 0.0 111.482 178.177 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 58.3 tp60 -59.29 -43.0 92.59 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 176.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -69.66 -47.03 51.55 Favored Glycine 0 N--CA 1.448 -0.552 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.939 175.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.455 HG12 ' HG2' ' A' ' 75' ' ' GLU . 96.4 t -56.47 -42.56 75.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.68 0.276 . . . . 0.0 111.44 -179.142 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.7 tmtt? -61.53 -50.63 71.92 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.945 -177.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 19.4 m -69.66 -31.02 47.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.992 -178.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.544 ' HE1' ' HB3' ' A' ' 7' ' ' LEU . 21.0 m-30 -70.16 -44.22 69.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.358 177.205 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.679 ' HG3' HD23 ' A' ' 71' ' ' LEU . 51.0 mttm -61.61 -40.44 94.83 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.311 179.632 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -67.06 -44.94 78.85 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.465 -178.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.07 -32.44 65.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.363 -178.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.39 -42.37 73.93 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 112.462 0.542 . . . . 0.0 112.462 -173.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -71.49 -19.81 62.15 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.677 0.275 . . . . 0.0 111.357 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 49.6 mttp -106.41 17.39 23.45 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.811 0.339 . . . . 0.0 111.515 -177.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -74.0 130.02 39.03 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.214 176.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.7 mpt_? -88.73 23.52 2.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.902 0.382 . . . . 0.0 110.943 -177.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.522 ' HB3' ' HB2' ' A' ' 63' ' ' LYS . 34.1 t-20 -161.72 124.8 1.83 Allowed Pre-proline 0 C--N 1.322 -0.598 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 -178.048 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.448 ' O ' ' HG2' ' A' ' 65' ' ' GLN . 17.4 Cg_endo -57.49 -47.78 20.26 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.892 2.395 . . . . 0.0 112.787 -176.738 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.405 ' O ' HG22 ' A' ' 66' ' ' VAL . 30.5 mt-10 -67.49 -34.72 77.73 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 121.024 -0.27 . . . . 0.0 110.496 -179.66 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.522 ' HB2' ' HB3' ' A' ' 60' ' ' ASN . 29.2 mmtp -59.08 -39.62 82.7 Favored 'General case' 0 CA--C 1.518 -0.261 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 175.193 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 21.2 ttt180 -68.39 -49.58 59.08 Favored 'General case' 0 C--O 1.219 -0.524 0 C-N-CA 120.451 -0.5 . . . . 0.0 110.287 175.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.932 HE21 ' HA ' ' A' ' 65' ' ' GLN . 0.0 OUTLIER -59.38 -36.82 76.48 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -172.883 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.405 HG22 ' O ' ' A' ' 62' ' ' GLU . 62.5 t -59.32 -50.45 79.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.025 0.44 . . . . 0.0 110.214 176.4 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 66.8 mt -69.94 -43.19 79.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.773 178.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.422 ' O ' ' HG2' ' A' ' 72' ' ' GLU . 16.9 t70 -57.07 -45.66 83.09 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 123.348 0.659 . . . . 0.0 111.805 -174.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -59.27 -46.08 89.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.318 0.58 . . . . 0.0 110.514 -179.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.581 HG22 ' ND1' ' A' ' 107' ' ' HIS . 65.4 mt -71.76 -37.8 63.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.909 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.679 HD23 ' HG3' ' A' ' 52' ' ' LYS . 5.2 tt -56.8 -51.87 67.28 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.447 178.098 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' A' ' 68' ' ' ASP . 4.8 mm-40 -69.25 -35.06 75.71 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.915 -178.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.474 ' HB3' ' HE1' ' A' ' 107' ' ' HIS . 0.6 OUTLIER -61.41 -40.28 93.81 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.762 176.096 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -67.66 -41.42 83.81 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.554 -175.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.62 ' HA ' ' OE1' ' A' ' 75' ' ' GLU . 1.3 mm-40 -65.13 -34.68 78.98 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.159 0.505 . . . . 0.0 110.173 172.81 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.425 ' HB3' ' O ' ' A' ' 73' ' ' ASP . 59.5 tttm -61.89 -37.11 83.35 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.63 176.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.502 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 62.9 m170 -61.91 -44.65 96.35 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 121.442 0.639 . . . . 0.0 110.333 177.412 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.557 HG23 HG22 ' A' ' 41' ' ' VAL . 94.3 mt -63.9 -41.99 94.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.043 -0.98 . . . . 0.0 110.988 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -60.71 -37.57 82.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.868 0.366 . . . . 0.0 110.294 173.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.48 ' HB3' ' O ' ' A' ' 77' ' ' HIS . 29.6 t-105 -61.59 -56.98 14.07 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.91 178.214 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 25.1 m-70 -61.16 -40.24 93.11 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -178.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp -65.41 -40.3 93.21 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.757 0.313 . . . . 0.0 111.029 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.17 -31.98 68.34 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.879 0.371 . . . . 0.0 110.876 178.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.76 -12.67 60.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.767 -179.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 71.1 m -79.72 40.55 0.46 Allowed 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 121.064 0.459 . . . . 0.0 111.751 -177.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.476 ' HB3' ' OE1' ' A' ' 87' ' ' GLN . 28.1 mmtp -77.03 -65.98 0.88 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.445 176.769 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.476 ' OE1' ' HB3' ' A' ' 86' ' ' LYS . 1.8 mp0 -99.99 -46.21 5.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.363 0.602 . . . . 0.0 110.248 177.598 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.4 ' HA3' ' HB3' ' A' ' 30' ' ' GLU . . . 124.94 -56.36 0.7 Allowed Glycine 0 N--CA 1.447 -0.615 0 N-CA-C 110.292 -1.123 . . . . 0.0 110.292 -173.709 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.525 ' HB2' ' HB2' ' A' ' 93' ' ' PHE . 18.5 m120 69.16 -176.85 0.21 Allowed 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 123.101 0.56 . . . . 0.0 111.871 173.28 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -144.8 -74.24 0.24 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.304 177.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -69.38 -43.94 72.49 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 120.672 0.272 . . . . 0.0 110.774 -178.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.563 ' O ' ' HG ' ' A' ' 96' ' ' LEU . 31.6 mm-40 -63.32 -44.26 95.47 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 177.347 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.525 ' HB2' ' HB2' ' A' ' 89' ' ' ASN . 68.2 t80 -61.72 -44.82 96.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.867 -178.412 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.23 -41.63 79.88 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.092 178.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 17.7 m -63.82 -38.99 93.16 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.664 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' ' 92' ' ' GLN . 68.3 mt -72.0 -37.26 69.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.027 -178.58 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.521 HG21 ' O ' ' A' ' 93' ' ' PHE . 62.3 t -67.63 -35.89 74.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.43 177.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -59.32 -34.76 72.72 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.674 178.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -63.47 -40.89 98.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.03 0.443 . . . . 0.0 110.084 177.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.502 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 5.4 t-160 -61.98 -41.81 98.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.791 178.631 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.528 HD21 ' HB3' ' A' ' 18' ' ' LEU . 3.8 mm? -59.74 -48.22 82.53 Favored 'General case' 0 C--O 1.231 0.094 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.288 178.614 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -61.4 -40.08 93.08 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 121.059 0.457 . . . . 0.0 110.833 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -62.89 -49.13 76.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.29 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -66.99 -25.05 66.12 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.381 -176.037 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.494 ' HG3' ' O ' ' A' ' 101' ' ' LEU . 80.7 mt-30 -61.49 -45.72 93.05 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 176.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 25.5 ttt85 -68.56 -31.71 71.12 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.206 176.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.687 ' O ' HG13 ' A' ' 111' ' ' ILE . 7.3 m170 -57.51 -50.86 71.69 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.198 179.189 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 70.8 t -58.97 -37.89 70.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.802 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.41 ' HG3' ' O ' ' A' ' 105' ' ' GLN . 46.5 mt-10 -63.48 -48.31 78.17 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.949 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.533 ' HB2' HD11 ' A' ' 70' ' ' ILE . 25.5 mt-10 -71.6 -29.57 64.84 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.847 -176.126 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.687 HG13 ' O ' ' A' ' 107' ' ' HIS . 73.2 mt -64.66 -77.6 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-O 120.694 0.283 . . . . 0.0 111.587 -179.711 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.603 ' O ' ' HG2' ' A' ' 113' ' ' LYS . 9.3 pt-20 -82.08 -21.35 36.87 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -171.357 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.603 ' HG2' ' O ' ' A' ' 112' ' ' GLU . 18.2 ptmt 62.84 -42.54 0.19 Allowed 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 125.357 1.463 . . . . 0.0 113.95 174.732 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 48.1 tttp -87.03 23.57 1.74 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.6 0.714 . . . . 0.0 110.441 -175.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.435 ' HB2' ' HG3' ' A' ' 112' ' ' GLU . 23.0 t-20 . . . . . 0 C--O 1.248 1.024 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.746 178.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.452 ' HG2' ' N ' ' A' ' 2' ' ' ASP . 58.6 ttm . . . . . 0 N--CA 1.478 0.975 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.452 ' N ' ' HG2' ' A' ' 1' ' ' MET . 1.3 m-20 -52.6 118.15 3.41 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 123.115 0.566 . . . . 0.0 111.536 -177.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.489 ' OE2' ' HG3' ' A' ' 5' ' ' ARG . 2.4 tm-20 -166.07 -70.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 -178.464 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.402 HD11 ' HA ' ' A' ' 4' ' ' LEU . 3.7 mm? 59.45 56.88 3.54 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 113.453 0.908 . . . . 0.0 113.453 169.721 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.489 ' HG3' ' OE2' ' A' ' 3' ' ' GLU . 51.7 mtt180 -57.18 -34.31 68.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.26 0.552 . . . . 0.0 110.278 169.36 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -57.39 -43.46 83.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.202 -178.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 76.3 mt -68.73 -39.9 80.15 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.966 0.412 . . . . 0.0 110.762 -179.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.401 ' O ' ' HG2' ' A' ' 12' ' ' GLN . 66.6 mt -60.0 -46.7 88.61 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.57 -179.118 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.464 ' HG2' ' OE1' ' A' ' 13' ' ' GLN . 18.7 ttpp -59.43 -37.1 77.22 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.186 -176.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.56 -46.96 74.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.289 -177.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.411 ' O ' HG12 ' A' ' 15' ' ' ILE . 6.1 mm-40 -68.71 -38.0 79.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.539 -0.301 . . . . 0.0 110.4 179.265 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.401 ' HG2' ' O ' ' A' ' 8' ' ' LEU . 85.5 mm-40 -62.91 -36.84 84.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.812 177.344 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.464 ' OE1' ' HG2' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -65.51 -44.68 86.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.591 176.502 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.522 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -59.17 -46.6 93.55 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.547 -0.835 . . . . 0.0 111.618 176.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.411 HG12 ' O ' ' A' ' 11' ' ' GLU . 41.1 mm -58.62 -44.8 90.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.752 0.31 . . . . 0.0 110.375 176.655 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.9 mmmt -56.09 -44.47 79.06 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.467 -178.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.519 ' O ' HG23 ' A' ' 21' ' ' VAL . 56.8 mt -69.33 -42.82 81.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.548 178.299 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.526 ' HB3' HD21 ' A' ' 101' ' ' LEU . 94.7 mt -57.52 -37.1 72.48 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.312 -179.545 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 55.1 mmtt -56.69 -45.56 81.72 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.113 0.482 . . . . 0.0 110.849 177.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -74.33 -34.2 63.37 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.053 -176.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.584 HG22 HD11 ' A' ' 40' ' ' ILE . 86.2 t -59.98 -41.07 84.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.854 178.725 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 97.7 mt -56.99 -35.34 69.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.118 0.485 . . . . 0.0 110.633 178.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -72.16 -46.8 54.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.756 178.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.455 ' HD3' ' HA ' ' A' ' 24' ' ' LYS . 70.0 mmtt -73.15 -26.98 61.41 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.928 -175.242 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.87 -35.65 78.9 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.273 0.559 . . . . 0.0 109.731 173.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -72.52 -20.42 61.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.396 179.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -84.97 -22.03 29.32 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.753 175.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 70.06 38.96 73.92 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.953 -0.642 . . . . 0.0 111.903 -177.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -102.52 107.13 17.98 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.777 0.322 . . . . 0.0 110.51 -177.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -69.04 -32.05 71.26 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.864 -177.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -70.27 -45.94 65.36 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-O 120.864 0.364 . . . . 0.0 110.406 -177.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -64.73 -44.13 91.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.345 176.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 28.8 mt -59.86 -41.35 91.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.44 178.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.78 -45.27 90.47 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.746 0.308 . . . . 0.0 110.981 179.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.9 ttm-85 -62.84 -48.69 77.99 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.294 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.588 ' O ' HG13 ' A' ' 40' ' ' ILE . 91.1 mt -64.19 -45.67 87.33 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.018 -179.107 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.434 ' HA ' HD13 ' A' ' 40' ' ' ILE . 64.0 t30 -58.04 -44.3 87.3 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.172 0.51 . . . . 0.0 110.354 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.456 HE21 ' CA ' ' A' ' 38' ' ' GLN . 0.0 OUTLIER -61.46 -44.01 97.86 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.176 178.848 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -71.49 -29.38 64.75 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.82 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.588 HG13 ' O ' ' A' ' 36' ' ' LEU . 87.0 mt -56.73 -49.07 79.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 172.413 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.3 t -55.57 -40.8 61.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.364 177.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.441 ' HG2' ' O ' ' A' ' 38' ' ' GLN . 33.6 mmtp -58.02 -47.24 83.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.498 177.625 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.88 -47.64 61.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.581 -176.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.476 ' O ' HG23 ' A' ' 48' ' ' VAL . 6.1 mm-40 -60.5 -46.3 90.63 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.442 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.581 ' HE2' HG22 ' A' ' 78' ' ' ILE . 69.6 mmtt -62.36 -42.84 99.72 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 120.782 0.325 . . . . 0.0 111.31 179.023 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 21.4 tm0? -63.89 -43.48 95.86 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 -179.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.64 -46.76 93.46 Favored Glycine 0 N--CA 1.447 -0.584 0 CA-C-N 115.663 -0.699 . . . . 0.0 112.069 177.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 44' ' ' GLU . 65.6 t -54.31 -40.49 48.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.751 0.31 . . . . 0.0 111.019 178.035 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.463 ' HZ1' ' HB2' ' A' ' 49' ' ' LYS . 0.1 OUTLIER -64.87 -42.28 94.97 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.581 -179.183 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 23.9 t -69.22 -37.01 75.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.082 0.468 . . . . 0.0 110.182 177.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.53 ' HB3' ' HG ' ' A' ' 71' ' ' LEU . 18.1 m-85 -64.72 -39.4 93.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.908 176.508 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.758 ' HD3' HD13 ' A' ' 71' ' ' LEU . 65.0 mmtt -58.19 -32.98 68.77 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 121.036 0.446 . . . . 0.0 110.533 176.064 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -67.51 -50.64 57.9 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.688 177.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.47 -46.97 44.98 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -176.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.42 -40.61 97.64 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.821 0.344 . . . . 0.0 111.882 -173.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -77.37 -0.85 27.24 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.78 0.324 . . . . 0.0 110.981 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -130.49 25.64 5.1 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.703 -178.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -74.72 156.86 36.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.306 -177.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 20.4 ttm-85 -90.47 -38.8 13.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.545 -173.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -122.89 135.47 25.84 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.204 -176.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -53.8 -47.7 25.74 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 123.059 2.506 . . . . 0.0 112.823 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -59.89 -42.62 94.2 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.842 0.353 . . . . 0.0 111.016 179.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 45.1 mtpt -72.21 -35.23 68.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.173 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.5 ttp180 -62.37 -41.62 98.77 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.914 177.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.52 -34.02 72.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.463 -178.528 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 57.6 t -64.27 -52.22 58.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 121.064 0.459 . . . . 0.0 110.214 176.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 57.8 mt -65.72 -39.09 83.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.674 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -60.19 -49.0 79.38 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.951 -177.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.457 ' O ' ' HB2' ' A' ' 73' ' ' ASP . 44.4 mttm -63.35 -41.09 98.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.609 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.458 HG23 ' ND1' ' A' ' 107' ' ' HIS . 38.5 mt -66.05 -38.68 82.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.931 0.396 . . . . 0.0 110.751 178.791 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.758 HD13 ' HD3' ' A' ' 52' ' ' LYS . 4.5 tt -60.5 -52.03 66.91 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.103 179.569 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.486 ' OE1' HD21 ' A' ' 71' ' ' LEU . 5.0 mm-40 -68.83 -33.13 73.32 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.329 -178.356 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.856 ' HA ' ' HE3' ' A' ' 76' ' ' LYS . 0.8 OUTLIER -60.74 -40.86 93.97 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.451 178.67 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.494 ' O ' HG13 ' A' ' 78' ' ' ILE . 1.2 tp10 -60.41 -36.92 79.26 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.68 -175.247 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -66.53 -39.46 88.63 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.689 0.281 . . . . 0.0 110.944 174.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.856 ' HE3' ' HA ' ' A' ' 73' ' ' ASP . 5.2 mtmp? -62.54 -32.48 73.44 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.909 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 48.5 m170 -64.16 -47.68 78.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.582 0.706 . . . . 0.0 109.844 174.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.581 HG22 ' HE2' ' A' ' 45' ' ' LYS . 73.3 mt -57.75 -36.96 57.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 114.575 -1.193 . . . . 0.0 111.194 -177.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -54.19 -38.61 65.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.802 178.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.592 ' HZ2' ' HA ' ' A' ' 93' ' ' PHE . 23.0 t-105 -71.22 -53.89 12.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.786 0.327 . . . . 0.0 110.713 177.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 74.6 m-70 -59.98 -35.24 74.58 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.733 -176.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 58.3 tttm -72.72 -36.08 67.7 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.877 0.37 . . . . 0.0 110.46 177.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.06 -32.76 73.33 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.935 0.398 . . . . 0.0 110.892 179.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.74 -18.78 65.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.142 177.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 19.8 m -79.76 -13.29 59.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.151 0.501 . . . . 0.0 110.393 178.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 57.3 tptt -81.04 -54.19 5.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.738 177.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -176.15 166.25 2.89 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.48 176.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 151.53 -160.41 28.73 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.92 -0.657 . . . . 0.0 111.503 179.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -141.27 154.19 45.61 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 179.004 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -58.97 -34.86 72.29 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.133 -0.485 . . . . 0.0 112.289 -176.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -63.94 -50.0 70.36 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 121.091 -0.244 . . . . 0.0 111.526 -175.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -68.65 -35.07 76.77 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.178 0.513 . . . . 0.0 110.177 -179.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.592 ' HA ' ' HZ2' ' A' ' 80' ' ' TRP . 88.4 t80 -61.56 -52.29 65.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.342 178.312 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.81 -47.26 85.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.753 -177.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 30.9 m -60.38 -42.04 95.03 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.26 -178.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 9.5 mp -73.23 -33.06 65.11 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.771 0.285 . . . . 0.0 111.771 179.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.501 HG22 ' O ' ' A' ' 93' ' ' PHE . 58.5 t -64.68 -36.98 78.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.002 0.429 . . . . 0.0 110.135 175.648 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 23.9 tm0? -60.18 -33.46 72.25 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.171 176.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -68.87 -40.39 79.3 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 120.904 0.383 . . . . 0.0 110.462 174.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 7.9 t-160 -57.82 -37.76 74.36 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.585 176.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.556 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 3.3 mm? -60.08 -48.76 80.37 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.328 176.752 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.427 ' O ' ' HB2' ' A' ' 105' ' ' GLN . 54.9 mt-30 -64.83 -35.37 80.89 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 121.115 0.484 . . . . 0.0 110.817 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -66.28 -50.2 64.5 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.517 -179.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.4 ' HA ' ' HB2' ' A' ' 107' ' ' HIS . 11.9 mm-40 -69.51 -19.4 63.73 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.961 -0.296 . . . . 0.0 110.298 -177.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.556 ' HG3' ' O ' ' A' ' 101' ' ' LEU . 74.2 mt-30 -60.44 -46.97 88.12 Favored 'General case' 0 CA--C 1.517 -0.307 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 172.221 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 3.7 mmt180 -68.68 -32.18 71.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.497 177.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.619 ' O ' HG13 ' A' ' 111' ' ' ILE . 12.0 m170 -58.63 -50.9 72.16 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.998 0.428 . . . . 0.0 109.9 175.629 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 77.6 t -68.22 -43.55 84.7 Favored 'Isoleucine or valine' 0 C--O 1.236 0.382 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.717 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' A' ' 105' ' ' GLN . 27.8 mm-40 -59.08 -35.69 73.81 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.741 0.305 . . . . 0.0 111.437 -178.491 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.22 -29.87 66.81 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.814 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.619 HG13 ' O ' ' A' ' 107' ' ' HIS . 18.3 mt -87.98 -73.1 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 N-CA-C 112.038 0.384 . . . . 0.0 112.038 -175.505 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.447 ' O ' ' HB2' ' A' ' 113' ' ' LYS . 43.9 mt-10 -64.28 -87.73 0.01 OUTLIER 'General case' 0 C--O 1.234 0.248 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 -167.48 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.472 ' HB2' ' HZ1' ' A' ' 113' ' ' LYS . 8.8 mtmp? 71.17 -54.79 0.66 Allowed 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 122.968 0.507 . . . . 0.0 111.899 -177.765 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -81.81 -2.57 51.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.014 0.435 . . . . 0.0 111.195 -177.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 11.2 m120 . . . . . 0 C--O 1.246 0.887 0 CA-C-O 118.36 -0.828 . . . . 0.0 109.965 -178.598 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.6 mtm . . . . . 0 N--CA 1.479 0.992 0 N-CA-C 110.465 -0.198 . . . . 0.0 110.465 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.2 t0 68.29 -171.97 0.19 Allowed 'General case' 0 C--O 1.233 0.23 0 O-C-N 123.931 0.77 . . . . 0.0 110.223 -179.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -133.77 -59.25 0.85 Allowed 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 -170.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 mm? 58.39 75.07 0.4 Allowed 'General case' 0 N--CA 1.468 0.475 0 CA-C-O 121.167 0.508 . . . . 0.0 111.066 -177.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -68.45 -49.8 57.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.247 -174.108 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.502 ' HA ' ' HE3' ' A' ' 9' ' ' LYS . 14.5 pt-20 -69.93 -32.22 70.38 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -171.215 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 63.2 mt -56.7 -37.41 70.86 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 121.163 -0.215 . . . . 0.0 111.488 -177.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 45.1 mt -65.6 -48.62 71.65 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.853 0.359 . . . . 0.0 111.005 177.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.502 ' HE3' ' HA ' ' A' ' 6' ' ' GLU . 22.4 pttp -71.5 -32.72 68.53 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.691 -0.403 . . . . 0.0 111.497 -177.022 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.61 -47.3 70.06 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.564 0.209 . . . . 0.0 111.564 -179.016 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -66.81 -50.06 63.81 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.063 0.458 . . . . 0.0 110.041 -179.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -61.46 -31.69 71.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.95 178.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.467 ' O ' HG13 ' A' ' 17' ' ' ILE . 9.4 tt0 -59.12 -46.17 89.02 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 177.664 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.492 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -60.57 -45.56 96.08 Favored Glycine 0 N--CA 1.448 -0.511 0 N-CA-C 111.321 -0.712 . . . . 0.0 111.321 177.002 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.549 ' HA ' HD11 ' A' ' 18' ' ' LEU . 71.8 mt -59.19 -42.46 86.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.791 0.329 . . . . 0.0 111.014 177.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -62.36 -40.93 98.04 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.978 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' ' 13' ' ' GLN . 62.0 mt -69.37 -36.4 71.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.392 177.583 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.549 HD11 ' HA ' ' A' ' 15' ' ' ILE . 98.4 mt -57.8 -37.33 73.55 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.53 175.73 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -58.74 -38.04 77.51 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.072 177.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -67.34 -40.18 85.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.241 177.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.471 HG23 HD13 ' A' ' 40' ' ' ILE . 58.0 t -61.96 -41.27 90.29 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.359 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.86 -179.644 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 96.3 mt -55.75 -41.32 73.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.778 0.323 . . . . 0.0 111.584 -178.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -73.81 -39.68 63.9 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.914 0.388 . . . . 0.0 111.719 179.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.646 ' HG2' ' HG2' ' A' ' 32' ' ' GLU . 1.5 mptm? -83.67 -15.87 47.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.977 -175.461 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.454 ' HB3' ' HB1' ' A' ' 94' ' ' ALA . . . -56.97 -37.08 71.08 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.629 0.252 . . . . 0.0 111.467 178.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -72.5 -19.97 61.44 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.986 0.422 . . . . 0.0 110.564 178.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -78.36 -53.65 7.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.975 178.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.0 18.7 64.55 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.959 -0.639 . . . . 0.0 112.91 177.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -71.35 125.06 25.99 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.894 0.378 . . . . 0.0 110.359 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.742 ' HG2' ' HG3' ' A' ' 87' ' ' GLN . 31.1 mt-10 -69.2 -38.73 78.77 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.674 -0.693 . . . . 0.0 111.879 -173.433 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -69.63 -43.29 72.98 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.977 0.417 . . . . 0.0 110.671 -178.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.646 ' HG2' ' HG2' ' A' ' 24' ' ' LYS . 6.5 tp10 -60.58 -49.23 78.35 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.002 173.79 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 33' ' ' LEU . 18.9 mt -61.02 -39.52 90.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.612 -179.513 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.9 -46.11 90.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.558 0.218 . . . . 0.0 110.926 179.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 36.0 ttt180 -63.18 -49.95 72.28 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-O 120.892 0.377 . . . . 0.0 111.236 178.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.495 ' O ' HG13 ' A' ' 40' ' ' ILE . 93.8 mt -62.77 -45.78 91.09 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.778 -176.237 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.469 ' O ' HG22 ' A' ' 41' ' ' VAL . 66.8 t30 -59.57 -47.68 84.61 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.14 -179.605 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -61.41 -45.74 93.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.753 -179.773 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.691 ' HA ' ' HZ3' ' A' ' 42' ' ' LYS . 30.5 mt-10 -65.44 -36.25 83.35 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 121.114 -0.235 . . . . 0.0 111.414 -177.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.495 HG13 ' O ' ' A' ' 36' ' ' LEU . 97.0 mt -60.61 -49.26 85.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 175.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.469 HG22 ' O ' ' A' ' 37' ' ' ASN . 90.1 t -55.45 -42.02 65.7 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.23 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.691 ' HZ3' ' HA ' ' A' ' 39' ' ' GLU . 26.6 mtmm -62.69 -41.8 99.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.625 0.25 . . . . 0.0 110.999 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.14 -47.14 68.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.554 -178.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.441 ' O ' HG23 ' A' ' 48' ' ' VAL . 7.9 mm-40 -58.2 -46.76 85.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.28 178.51 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.516 ' HE2' HG21 ' A' ' 78' ' ' ILE . 62.5 mmtt -62.49 -39.98 95.22 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.952 -178.434 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 58.3 tp60 -60.82 -44.37 97.01 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.881 -0.415 . . . . 0.0 109.881 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.7 -47.89 85.61 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.583 -0.818 . . . . 0.0 111.908 177.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.487 HG13 ' HG ' ' A' ' 71' ' ' LEU . 82.9 t -56.97 -44.01 81.79 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 CA-C-O 120.748 0.308 . . . . 0.0 110.983 179.062 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.7 tmtt? -57.73 -46.0 85.03 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.539 -178.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 43.4 t -69.13 -42.91 81.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.743 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -59.04 -47.4 85.36 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.813 178.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.433 ' HB2' HD13 ' A' ' 71' ' ' LEU . 64.2 tttm -63.37 -44.02 95.98 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.917 0.389 . . . . 0.0 110.608 179.682 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -58.73 -47.35 84.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.902 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.01 -39.71 69.02 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.58 -179.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.35 -45.0 95.03 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -176.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -85.9 8.24 21.04 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.863 0.363 . . . . 0.0 111.132 -177.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -133.88 18.94 3.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.622 0.725 . . . . 0.0 109.355 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -84.99 172.38 11.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.428 -0.806 . . . . 0.0 111.234 -175.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 61.2 mtp180 -119.74 16.15 12.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.7 -178.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.448 ' HA ' ' HD3' ' A' ' 61' ' ' PRO . 28.5 t-20 -151.77 121.82 3.56 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.702 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 60' ' ' ASN . 25.3 Cg_exo -63.57 -41.94 23.26 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 123.153 2.569 . . . . 0.0 113.205 -177.029 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.417 ' O ' ' HB3' ' A' ' 65' ' ' GLN . 6.7 tp10 -67.18 -40.51 86.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.079 0.466 . . . . 0.0 110.501 -174.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.477 ' HE2' ' HA ' ' A' ' 63' ' ' LYS . 0.1 OUTLIER -65.69 -38.87 90.45 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.755 177.599 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 19.0 ttp85 -61.34 -41.44 97.06 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.171 177.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.417 ' HB3' ' O ' ' A' ' 62' ' ' GLU . 0.7 OUTLIER -55.45 -43.65 75.62 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 123.732 0.813 . . . . 0.0 111.321 178.805 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 46.6 t -67.11 -46.56 84.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 120.86 0.362 . . . . 0.0 110.568 178.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 80.9 mt -61.54 -38.15 79.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.534 178.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -58.35 -46.64 85.88 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.495 178.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -66.02 -37.86 86.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.946 177.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.426 HD12 ' HG2' ' A' ' 110' ' ' GLU . 77.2 mt -61.81 -42.6 95.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 175.077 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.487 ' HG ' HG13 ' A' ' 48' ' ' VAL . 5.9 tt -63.35 -46.02 88.48 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.684 176.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -58.9 -41.76 88.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.376 179.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.509 ' HB3' ' CE1' ' A' ' 107' ' ' HIS . 43.1 t0 -68.98 -44.71 72.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.326 0.584 . . . . 0.0 110.438 178.273 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.487 ' HB3' HG21 ' A' ' 48' ' ' VAL . 2.5 tp10 -64.01 -39.88 95.09 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.346 -176.413 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.637 ' HA ' ' OE1' ' A' ' 75' ' ' GLU . 1.3 mm-40 -66.01 -35.1 79.66 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-O 120.916 0.388 . . . . 0.0 110.295 173.02 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.459 ' HB3' ' O ' ' A' ' 73' ' ' ASP . 88.1 tttt -60.96 -36.56 79.72 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.587 179.333 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.466 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 38.7 m170 -66.38 -48.53 69.84 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.632 0.729 . . . . 0.0 109.871 176.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.516 HG21 ' HE2' ' A' ' 45' ' ' LYS . 70.9 mt -58.86 -35.79 58.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 114.619 -1.173 . . . . 0.0 110.91 -178.445 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.516 ' HG3' ' O ' ' A' ' 75' ' ' GLU . 43.6 mt-10 -55.16 -41.04 71.33 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.551 0.215 . . . . 0.0 111.018 177.646 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 31.0 t-105 -68.24 -50.33 54.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.995 0.426 . . . . 0.0 110.544 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -63.79 -34.73 78.56 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.203 -179.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -72.4 -36.02 68.55 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.653 179.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.81 -29.86 68.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.718 178.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.09 -31.39 64.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.182 175.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 26.1 t 71.54 -62.21 0.46 Allowed 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.194 176.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -137.16 -60.2 0.68 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.928 0.394 . . . . 0.0 110.097 178.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.742 ' HG3' ' HG2' ' A' ' 30' ' ' GLU . 0.6 OUTLIER -149.77 167.05 27.6 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.058 -178.54 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -161.72 -130.88 1.16 Allowed Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.794 -0.717 . . . . 0.0 111.497 178.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -77.76 160.66 28.25 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 177.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -91.11 -78.05 0.4 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.751 0.649 . . . . 0.0 112.751 -170.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.04 -36.22 83.29 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 112.454 0.539 . . . . 0.0 112.454 -171.543 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -58.87 -49.79 76.43 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.893 0.377 . . . . 0.0 110.411 175.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.535 ' O ' HG23 ' A' ' 97' ' ' VAL . 81.2 t80 -62.24 -45.33 93.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.381 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.454 ' HB1' ' HB3' ' A' ' 25' ' ' ALA . . . -57.32 -43.0 82.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.212 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 42.8 m -59.7 -41.81 91.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.964 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 9.6 mp -72.32 -32.35 66.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.939 179.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 93' ' ' PHE . 96.4 t -62.41 -40.77 89.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.704 0.287 . . . . 0.0 110.233 175.353 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.448 ' HG3' ' O ' ' A' ' 94' ' ' ALA . 26.4 mt-30 -57.72 -35.32 70.5 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.829 0.347 . . . . 0.0 110.42 176.777 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 32.6 mm-40 -66.59 -40.04 88.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.09 177.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.466 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 4.9 t-160 -59.32 -41.03 88.14 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 177.579 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.529 HD23 ' HB3' ' A' ' 18' ' ' LEU . 3.6 mm? -59.29 -47.7 84.38 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.573 177.217 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 17.0 mm-40 -68.13 -37.92 81.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.351 0.596 . . . . 0.0 110.744 179.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -64.78 -49.31 71.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.054 -0.975 . . . . 0.0 112.287 -173.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.452 ' O ' HG22 ' A' ' 108' ' ' VAL . 17.0 mm-40 -62.71 -23.03 66.94 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -174.15 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.458 ' O ' ' HG2' ' A' ' 109' ' ' GLU . 77.0 mt-30 -60.71 -33.13 72.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.87 0.367 . . . . 0.0 110.328 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' A' ' 106' ' ' ARG . 10.2 mtp180 -64.25 -34.02 77.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.113 177.302 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.509 ' CE1' ' HB3' ' A' ' 73' ' ' ASP . 64.5 m170 -74.55 -40.77 61.48 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.963 -177.56 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.636 HG13 ' HA ' ' A' ' 114' ' ' LYS . 3.7 t -65.61 -36.14 76.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.255 178.488 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 105' ' ' GLN . 62.2 mm-40 -58.71 -37.65 76.58 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.897 177.452 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.426 ' HG2' HD12 ' A' ' 70' ' ' ILE . 15.7 tp10 -61.49 -39.59 91.5 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.718 0.294 . . . . 0.0 110.264 177.626 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.457 HG21 ' HG3' ' A' ' 112' ' ' GLU . 54.0 mt -66.52 -77.54 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.269 -0.423 . . . . 0.0 109.959 177.286 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.457 ' HG3' HG21 ' A' ' 111' ' ' ILE . 41.2 mt-10 -142.12 -81.34 0.22 Allowed 'General case' 0 N--CA 1.448 -0.575 0 CA-C-O 121.619 0.723 . . . . 0.0 110.199 178.313 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.88 154.87 40.97 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 178.646 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.636 ' HA ' HG13 ' A' ' 108' ' ' VAL . 53.8 mtmt -51.19 -67.12 0.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 O-C-N 123.605 0.566 . . . . 0.0 110.496 176.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.52 ' HB2' ' O ' ' A' ' 114' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.246 0.895 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 173.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.478 0.975 0 CA-C-O 120.696 0.284 . . . . 0.0 110.541 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -84.02 -46.21 12.27 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 175.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 54.46 93.57 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 114.378 -1.283 . . . . 0.0 113.446 169.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.9 mt -105.71 -17.01 14.52 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.466 176.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.541 ' HA ' HD12 ' A' ' 8' ' ' LEU . 71.6 mtp85 -69.95 -44.94 68.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.798 -176.833 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.85 -35.45 74.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.574 0.702 . . . . 0.0 109.818 176.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 42.8 tp -72.27 -31.34 65.67 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.211 -178.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.541 HD12 ' HA ' ' A' ' 5' ' ' ARG . 42.4 mt -59.7 -28.16 67.07 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -178.448 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -57.09 -33.37 67.22 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.478 -176.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.95 -47.17 87.65 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 120.745 0.307 . . . . 0.0 110.959 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.427 ' O ' HG13 ' A' ' 15' ' ' ILE . 6.2 mm-40 -63.04 -42.66 99.8 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.333 177.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 -62.54 -40.3 96.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.179 -178.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -65.67 -44.03 87.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.454 178.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.516 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -58.5 -46.28 93.36 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.771 -0.728 . . . . 0.0 111.712 176.64 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.521 ' HA ' HD11 ' A' ' 18' ' ' LEU . 80.5 mt -61.75 -39.43 83.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.564 0.221 . . . . 0.0 111.121 178.22 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -58.16 -47.01 84.69 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-O 120.988 0.423 . . . . 0.0 110.691 179.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 65.0 mt -65.56 -38.18 81.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.831 179.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.614 ' HB3' HD22 ' A' ' 101' ' ' LEU . 96.6 mt -58.27 -37.09 74.28 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.1 177.718 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' A' ' 15' ' ' ILE . 65.2 mttm -57.55 -45.19 85.41 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.882 0.373 . . . . 0.0 110.832 178.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -67.54 -34.88 77.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.814 -177.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.57 HG23 HD12 ' A' ' 40' ' ' ILE . 86.4 t -63.34 -41.34 92.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.892 179.567 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 92.4 mt -58.61 -35.74 72.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.763 178.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -69.96 -47.92 60.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.407 179.016 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.431 ' HE2' ' HA ' ' A' ' 24' ' ' LYS . 0.2 OUTLIER -68.5 -26.64 65.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.267 -177.28 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.91 -46.29 88.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.014 178.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -71.79 -34.08 69.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.567 178.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -60.06 -36.46 77.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.442 173.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 81.59 44.97 7.56 Favored Glycine 0 N--CA 1.448 -0.536 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.671 176.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -116.35 111.72 20.48 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.103 -0.332 . . . . 0.0 110.103 178.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -69.81 -28.99 66.17 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.206 -176.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -70.0 -47.93 60.19 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.749 -177.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -64.19 -42.23 96.75 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 175.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 41.5 mt -58.44 -44.28 89.12 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.101 177.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.9 -43.54 92.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.672 0.272 . . . . 0.0 111.023 179.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.402 ' O ' ' HG2' ' A' ' 39' ' ' GLU . 6.0 ttp180 -64.34 -46.96 81.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.131 0.491 . . . . 0.0 110.29 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.408 ' O ' HG13 ' A' ' 40' ' ' ILE . 89.5 mt -65.2 -34.61 78.77 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.278 178.219 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.42 ' O ' HG21 ' A' ' 41' ' ' VAL . 67.0 t30 -61.06 -41.52 96.77 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.273 0.558 . . . . 0.0 109.629 176.116 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -59.24 -41.1 87.92 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.048 175.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.402 ' HG2' ' O ' ' A' ' 35' ' ' ARG . 13.9 mm-40 -63.87 -39.54 94.45 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.73 177.667 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.57 HD12 HG23 ' A' ' 21' ' ' VAL . 79.8 mt -62.77 -49.69 82.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.702 178.525 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.42 HG21 ' O ' ' A' ' 37' ' ' ASN . 85.2 t -56.87 -50.27 75.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.076 -177.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -63.15 -36.48 83.76 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 120.637 0.256 . . . . 0.0 111.093 -178.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.04 -47.42 71.43 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.814 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.486 ' O ' HG21 ' A' ' 48' ' ' VAL . 7.1 mm-40 -61.49 -45.36 94.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.327 177.416 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.406 ' HE2' HD12 ' A' ' 78' ' ' ILE . 73.8 mmtt -59.5 -39.79 84.94 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 120.736 0.303 . . . . 0.0 111.135 178.41 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.45 -44.85 95.4 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 179.125 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.45 ' O ' ' HD2' ' A' ' 51' ' ' TYR . . . -64.78 -46.45 89.65 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.154 176.398 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.486 HG21 ' O ' ' A' ' 44' ' ' GLU . 76.6 t -53.91 -40.82 46.39 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.086 0 C-N-CA 122.378 0.271 . . . . 0.0 110.964 178.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -55.68 -49.91 71.67 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.898 178.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.7 t -69.72 -46.27 75.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.939 -178.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.45 ' HD2' ' O ' ' A' ' 47' ' ' GLY . 38.1 m-85 -59.17 -46.33 88.68 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.109 179.197 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.532 ' HA ' HD13 ' A' ' 71' ' ' LEU . 39.9 ttmt -60.93 -43.3 98.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.962 0.41 . . . . 0.0 110.992 -178.624 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -67.52 -38.39 84.18 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.386 -178.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.76 -35.26 70.04 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.572 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.9 -47.6 82.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.004 0.431 . . . . 0.0 111.938 -177.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -86.84 17.68 3.91 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.989 -177.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.7 ttmm -143.95 13.73 1.68 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.181 -178.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.55 162.79 26.84 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.974 -172.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -70.5 -77.23 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.423 179.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -104.92 153.8 39.12 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.972 -175.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo -57.65 -28.21 80.58 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 123.255 2.636 . . . . 0.0 113.009 -179.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -61.45 -39.04 89.39 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.156 0.503 . . . . 0.0 110.613 178.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -67.36 -42.5 83.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.183 178.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.432 ' HD2' ' HB2' ' A' ' 68' ' ' ASP . 2.8 tmm_? -66.18 -37.07 84.72 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.021 -179.044 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -56.71 -46.15 81.44 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-O 120.966 0.412 . . . . 0.0 110.568 176.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.578 ' HA ' ' HZ1' ' A' ' 69' ' ' LYS . 60.2 t -65.76 -49.77 75.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.214 179.107 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.404 HG23 ' HD1' ' A' ' 51' ' ' TYR . 78.3 mt -60.84 -45.99 97.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.351 -179.254 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.432 ' HB2' ' HD2' ' A' ' 64' ' ' ARG . 19.4 t70 -63.31 -47.49 82.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.918 -175.341 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.578 ' HZ1' ' HA ' ' A' ' 66' ' ' VAL . 23.9 pttm -70.34 -32.6 70.38 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.297 -0.561 . . . . 0.0 110.707 -177.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.494 ' O ' ' HG2' ' A' ' 74' ' ' GLU . 28.9 mt -70.62 -39.78 76.34 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.352 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 173.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.532 HD13 ' HA ' ' A' ' 52' ' ' LYS . 6.9 mt -56.77 -49.68 74.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.711 173.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -63.13 -35.57 80.73 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.316 -0.857 . . . . 0.0 109.503 177.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.524 ' O ' ' HB3' ' A' ' 76' ' ' LYS . 0.4 OUTLIER -69.79 -43.77 71.44 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.32 -179.388 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.494 ' HG2' ' O ' ' A' ' 70' ' ' ILE . 66.0 mm-40 -63.63 -41.58 98.25 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 121.079 -0.248 . . . . 0.0 110.466 -178.53 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -63.62 -34.57 78.12 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.457 0.646 . . . . 0.0 109.744 174.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.524 ' HB3' ' O ' ' A' ' 73' ' ' ASP . 34.8 ttmt -63.95 -40.3 96.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.118 -0.946 . . . . 0.0 110.175 175.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.521 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 29.9 m170 -64.87 -48.5 74.02 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 121.355 0.598 . . . . 0.0 109.809 178.204 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.411 HG13 ' O ' ' A' ' 74' ' ' GLU . 89.4 mt -60.53 -39.24 80.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 CA-C-N 115.021 -0.991 . . . . 0.0 110.926 -178.51 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -56.56 -33.5 66.2 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 120.796 0.331 . . . . 0.0 110.582 178.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 18.1 t-105 -71.13 -57.99 3.98 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.73 175.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -57.47 -32.43 66.95 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.229 0.538 . . . . 0.0 111.371 -178.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 53.6 tttt -65.39 -47.99 74.43 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.055 176.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.29 -33.35 69.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.95 0.405 . . . . 0.0 111.496 -178.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -74.36 -11.06 60.15 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.464 -179.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 31.8 t -66.4 -13.59 60.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.988 -175.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 48.7 mttp -112.49 14.96 20.31 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.999 -0.281 . . . . 0.0 110.807 178.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -117.17 121.08 40.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.021 0.438 . . . . 0.0 110.956 -176.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -84.35 64.74 4.21 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.011 177.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 38.7 t-20 -122.83 139.34 54.12 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 -177.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -114.95 -61.4 1.76 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -175.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -68.83 -48.31 63.86 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.894 0.378 . . . . 0.0 111.408 -173.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -68.99 -35.7 77.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.05 0.453 . . . . 0.0 110.262 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.522 ' O ' HG21 ' A' ' 97' ' ' VAL . 39.5 t80 -63.04 -48.63 77.9 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.313 174.735 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.531 ' O ' ' HG3' ' A' ' 98' ' ' GLN . . . -59.29 -39.36 82.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.171 179.361 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 30.4 m -57.21 -44.24 83.53 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.419 178.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 8.6 mp -72.72 -33.01 66.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.374 178.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.522 HG21 ' O ' ' A' ' 93' ' ' PHE . 84.9 t -62.78 -37.77 79.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.865 0.364 . . . . 0.0 110.247 175.248 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.531 ' HG3' ' O ' ' A' ' 94' ' ' ALA . 95.5 mt-30 -59.89 -33.21 71.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.565 177.081 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -64.03 -36.27 83.43 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.401 175.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.521 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 7.0 t-160 -64.34 -40.99 96.97 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 176.643 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.614 HD22 ' HB3' ' A' ' 18' ' ' LEU . 3.9 mm? -60.07 -48.56 81.22 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.915 176.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.408 ' HG2' ' O ' ' A' ' 98' ' ' GLN . 16.8 mm-40 -64.41 -35.89 82.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.218 0.532 . . . . 0.0 110.285 179.635 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -67.93 -49.74 60.07 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.879 -177.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -64.55 -20.73 66.41 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.707 0.289 . . . . 0.0 110.586 -177.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.542 ' HG3' ' O ' ' A' ' 101' ' ' LEU . 78.3 mt-30 -63.07 -46.93 85.13 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.498 175.479 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 21.1 ttt180 -65.42 -32.73 74.51 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.843 0.354 . . . . 0.0 110.249 177.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.432 ' O ' HG12 ' A' ' 111' ' ' ILE . 15.2 m170 -58.22 -44.07 88.02 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 177.383 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.587 HG12 ' HB3' ' A' ' 115' ' ' ASN . 59.4 t -69.28 -43.72 81.05 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.321 175.103 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.515 ' HG3' ' O ' ' A' ' 105' ' ' GLN . 48.4 mt-10 -57.8 -38.82 76.2 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -177.125 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -70.05 -27.51 64.71 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 122.199 -0.313 . . . . 0.0 111.517 179.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.432 HG12 ' O ' ' A' ' 107' ' ' HIS . 31.6 mm -83.87 -73.83 0.3 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 CA-C-O 120.719 0.295 . . . . 0.0 111.525 179.801 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.406 ' O ' ' HB2' ' A' ' 113' ' ' LYS . 9.5 pt-20 -105.01 20.82 18.18 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -173.764 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 112' ' ' GLU . 74.3 mmtt 76.27 -47.54 0.56 Allowed 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 112.594 0.59 . . . . 0.0 112.594 175.065 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 11.7 tttm -166.85 136.62 3.01 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.297 0.094 . . . . 0.0 110.878 -177.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.587 ' HB3' HG12 ' A' ' 108' ' ' VAL . 5.4 p-10 . . . . . 0 C--O 1.246 0.92 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 171.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.7 ttp . . . . . 0 N--CA 1.478 0.974 0 CA-C-O 121.063 0.459 . . . . 0.0 110.333 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -137.17 111.19 8.3 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 176.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -117.73 32.11 6.34 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 121.435 0.636 . . . . 0.0 110.106 -177.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 42.0 tp -148.52 -65.35 0.24 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.957 -179.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.17 -37.9 88.82 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 111.721 0.267 . . . . 0.0 111.721 -169.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -66.13 -35.48 80.6 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.864 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 95.3 mt -73.13 -42.66 62.64 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.87 0.367 . . . . 0.0 110.36 175.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 87.2 mt -59.92 -28.64 67.77 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.449 178.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 43.5 tttp -56.44 -34.89 67.26 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.388 -174.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.24 -47.06 68.8 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.104 -179.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -68.32 -40.07 81.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.159 0.504 . . . . 0.0 109.903 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -63.82 -39.37 94.08 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.058 178.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -63.99 -41.13 97.6 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.482 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.502 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -58.83 -46.46 93.5 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.898 177.145 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 64.6 mt -63.34 -39.56 85.73 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 CA-C-O 120.94 0.4 . . . . 0.0 110.594 178.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.0 tmtm? -56.42 -46.04 80.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.646 177.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.5 HD12 ' HB3' ' A' ' 39' ' ' GLU . 75.1 mt -65.99 -40.79 88.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.65 178.351 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.536 ' HB3' HD22 ' A' ' 101' ' ' LEU . 95.7 mt -57.81 -36.9 72.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.083 178.643 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 30.3 mmtp -60.56 -44.32 96.29 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 120.772 0.32 . . . . 0.0 110.897 177.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -62.76 -33.45 75.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.042 -179.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.506 ' HA ' HD12 ' A' ' 36' ' ' LEU . 60.5 t -59.08 -42.01 85.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.802 -179.407 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 87.3 mt -58.46 -41.1 84.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.698 179.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.2 mmmt -73.1 -46.98 48.24 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.586 178.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.711 ' HD3' ' HB3' ' A' ' 32' ' ' GLU . 68.8 mttm -69.7 -26.82 64.54 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.901 -173.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.94 -34.42 78.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.1 0.476 . . . . 0.0 110.105 174.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -72.36 -32.81 66.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.812 178.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -64.89 -28.48 69.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.2 177.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 77.18 17.35 79.65 Favored Glycine 0 N--CA 1.45 -0.372 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.86 175.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -95.38 114.58 26.37 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.882 0.372 . . . . 0.0 110.184 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -72.56 -21.52 61.14 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.02 -0.537 . . . . 0.0 112.251 -176.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -68.16 -43.23 78.69 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 177.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.711 ' HB3' ' HD3' ' A' ' 24' ' ' LYS . 63.2 mm-40 -60.95 -43.09 99.18 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.048 174.386 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.4 ' HA ' HD13 ' A' ' 36' ' ' LEU . 84.8 mt -61.06 -45.39 94.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.305 179.516 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.86 -42.5 99.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.08 0.467 . . . . 0.0 110.331 177.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 34.8 ttt180 -59.0 -46.82 87.21 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.678 176.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.587 HD11 ' HD2' ' A' ' 24' ' ' LYS . 80.3 mt -58.95 -46.31 88.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.346 -178.465 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.449 ' O ' HG22 ' A' ' 41' ' ' VAL . 5.9 t30 -62.23 -41.24 98.22 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 -177.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.51 -47.81 82.32 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.395 175.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.5 ' HB3' HD12 ' A' ' 17' ' ' ILE . 5.8 mm-40 -59.81 -41.81 92.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.134 179.72 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.476 HG13 ' O ' ' A' ' 36' ' ' LEU . 94.5 mt -60.15 -49.8 82.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.608 178.158 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.449 HG22 ' O ' ' A' ' 37' ' ' ASN . 89.2 t -56.27 -46.1 81.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.01 0.433 . . . . 0.0 110.614 178.24 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 52.3 mtpt -61.69 -42.91 99.57 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.467 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.55 -47.13 61.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.552 -0.294 . . . . 0.0 111.494 -179.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.464 ' O ' HG21 ' A' ' 48' ' ' VAL . 6.0 mm-40 -58.84 -46.28 88.06 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.479 -179.542 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.4 ' CG ' HD12 ' A' ' 78' ' ' ILE . 27.0 mtpp -69.4 -30.95 69.02 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 116.712 -0.222 . . . . 0.0 111.39 -179.62 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -60.29 -40.95 92.29 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 175.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -68.16 -45.87 68.62 Favored Glycine 0 N--CA 1.446 -0.638 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.744 174.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.464 HG21 ' O ' ' A' ' 44' ' ' GLU . 63.4 t -53.83 -40.93 46.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.77 0.319 . . . . 0.0 111.196 178.453 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -58.23 -51.52 69.41 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.206 -177.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.8 m -73.3 -41.15 57.7 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.235 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 178.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.485 ' HB2' HD22 ' A' ' 71' ' ' LEU . 10.8 m-85 -66.48 -37.96 86.25 Favored 'General case' 0 C--O 1.226 -0.166 0 N-CA-C 111.556 0.206 . . . . 0.0 111.556 -176.224 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.557 ' HA ' ' HG ' ' A' ' 71' ' ' LEU . 55.1 tttp -63.08 -37.41 87.09 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.0 0.428 . . . . 0.0 110.141 -179.125 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -67.24 -43.02 83.01 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.219 176.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.71 -32.99 71.87 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.487 -178.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.15 -42.1 94.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.854 0.359 . . . . 0.0 111.277 -179.052 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -81.16 -12.92 59.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.053 -178.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.5 ttpt -125.22 28.65 6.29 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.423 0.63 . . . . 0.0 110.197 -174.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.62 ' HB3' ' HG3' ' A' ' 64' ' ' ARG . . . -78.37 157.88 28.94 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.348 179.157 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 52.0 mtt180 -101.79 -59.16 1.75 Allowed 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.872 -174.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -83.65 128.02 65.44 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.001 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -59.9 -38.5 78.79 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 123.066 2.511 . . . . 0.0 113.231 -174.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -63.56 -45.27 91.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.961 0.41 . . . . 0.0 110.515 -177.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 32.8 mmtm -75.8 -28.01 58.17 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.305 176.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.62 ' HG3' ' HB3' ' A' ' 58' ' ' ALA . 29.8 ttt180 -57.73 -46.21 84.75 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 175.531 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.11 -43.17 95.8 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.858 177.095 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 77.8 t -58.74 -53.66 44.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.313 178.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 70.3 mt -62.27 -42.47 95.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.712 -178.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -60.08 -47.07 87.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.771 179.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.543 ' HA ' ' HE3' ' A' ' 69' ' ' LYS . 0.1 OUTLIER -64.12 -45.27 89.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.847 -177.142 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.533 HG22 ' ND1' ' A' ' 107' ' ' HIS . 50.8 mt -66.94 -38.23 80.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.951 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.557 ' HG ' ' HA ' ' A' ' 52' ' ' LYS . 2.8 tm? -58.68 -50.05 75.32 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.44 177.227 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -68.69 -35.8 77.66 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.073 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.46 ' HB3' ' CE1' ' A' ' 107' ' ' HIS . 0.5 OUTLIER -62.06 -42.65 99.41 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 121.221 0.534 . . . . 0.0 110.299 178.391 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -60.51 -39.11 86.59 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.098 -0.956 . . . . 0.0 110.482 -176.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.423 ' HA ' HD13 ' A' ' 78' ' ' ILE . 19.7 mm-40 -67.68 -35.84 79.58 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 120.729 0.299 . . . . 0.0 110.998 174.655 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -64.57 -34.03 77.29 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.614 0.245 . . . . 0.0 110.86 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.404 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 45.2 m170 -61.67 -47.24 86.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.69 0.757 . . . . 0.0 109.467 175.553 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.556 HG21 ' HE3' ' A' ' 82' ' ' LYS . 48.6 mt -61.39 -38.41 79.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 114.778 -1.101 . . . . 0.0 110.421 178.764 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.461 ' HA ' ' OE1' ' A' ' 79' ' ' GLU . 9.3 mm-40 -56.74 -43.28 80.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.464 175.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.433 ' CZ2' HD12 ' A' ' 96' ' ' LEU . 21.5 t-105 -65.06 -53.88 38.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.733 176.383 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 53.7 m-70 -59.27 -36.67 75.93 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -177.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.623 ' HZ3' ' HB2' ' A' ' 82' ' ' LYS . 10.6 mtmp? -68.78 -36.24 78.05 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.689 177.663 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.83 -35.23 72.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.039 0.447 . . . . 0.0 110.716 176.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.21 -12.14 60.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.515 179.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 48.8 m -61.91 143.23 56.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.688 -179.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.479 ' HB3' ' HZ2' ' A' ' 86' ' ' LYS . 8.6 mtpm? 69.94 10.33 7.41 Favored 'General case' 0 N--CA 1.463 0.213 0 O-C-N 123.912 0.758 . . . . 0.0 111.788 177.529 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 46.7 tp60 -123.58 83.57 2.15 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 174.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -75.82 120.31 5.95 Favored Glycine 0 N--CA 1.452 -0.281 0 CA-C-N 115.815 -0.63 . . . . 0.0 113.395 -173.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 50.7 m-80 -138.34 164.8 28.37 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 176.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -121.29 -65.05 1.17 Allowed 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.954 -0.298 . . . . 0.0 111.566 179.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -63.44 -47.52 81.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.876 0.37 . . . . 0.0 111.702 -174.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -68.16 -39.02 82.69 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.512 0.672 . . . . 0.0 109.905 177.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.55 ' O ' HG12 ' A' ' 97' ' ' VAL . 70.8 t80 -61.52 -49.82 75.17 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.803 -1.089 . . . . 0.0 111.006 -177.204 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.472 ' O ' HG21 ' A' ' 97' ' ' VAL . . . -66.12 -24.84 66.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.749 0.309 . . . . 0.0 111.646 -177.238 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.423 ' HA ' HE21 ' A' ' 98' ' ' GLN . 52.5 m -72.41 -42.05 65.58 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.137 0.494 . . . . 0.0 109.966 173.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.433 HD12 ' CZ2' ' A' ' 80' ' ' TRP . 94.3 mt -72.87 -33.74 66.28 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.704 -178.061 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.55 HG12 ' O ' ' A' ' 93' ' ' PHE . 32.6 m -63.54 -35.21 71.74 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 CA-C-O 120.732 0.301 . . . . 0.0 110.83 178.527 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.423 HE21 ' HA ' ' A' ' 95' ' ' SER . 43.3 mt-30 -57.64 -32.19 67.01 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.289 177.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.67 -42.75 99.79 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 177.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.404 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 5.6 t-160 -66.9 -41.67 86.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.716 178.421 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.536 HD22 ' HB3' ' A' ' 18' ' ' LEU . 3.8 mm? -59.21 -48.37 81.88 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.52 178.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -67.39 -36.04 80.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.071 0.462 . . . . 0.0 110.653 179.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -62.88 -48.99 76.61 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.547 -178.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.435 ' O ' HG21 ' A' ' 108' ' ' VAL . 20.5 mm-40 -66.82 -27.61 67.7 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 121.008 -0.277 . . . . 0.0 110.59 -178.217 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.573 ' O ' ' HG3' ' A' ' 109' ' ' GLU . 77.4 mt-30 -66.89 -39.08 87.37 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 173.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.96 -38.72 89.56 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.142 172.424 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.605 ' O ' HG13 ' A' ' 111' ' ' ILE . 17.2 m170 -59.88 -49.81 76.24 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.071 175.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.435 HG21 ' O ' ' A' ' 104' ' ' GLU . 94.1 t -61.67 -40.99 88.66 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.367 -179.557 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.573 ' HG3' ' O ' ' A' ' 105' ' ' GLN . 50.8 mt-10 -56.99 -45.29 83.1 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-O 121.19 0.519 . . . . 0.0 110.335 177.2 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -70.04 -29.26 66.24 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.327 -0.852 . . . . 0.0 110.71 -176.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.605 HG13 ' O ' ' A' ' 107' ' ' HIS . 57.7 mt -81.55 -67.16 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.971 0.415 . . . . 0.0 111.265 178.472 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.451 ' O ' ' HB3' ' A' ' 113' ' ' LYS . 36.8 mt-10 -84.22 -55.31 4.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.582 -172.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.451 ' HB3' ' O ' ' A' ' 112' ' ' GLU . 43.5 tttm 72.75 -41.1 0.49 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.57 0.748 . . . . 0.0 111.746 -177.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.451 ' HZ3' ' HB3' ' A' ' 114' ' ' LYS . 7.1 mtpm? -90.32 24.22 2.64 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.073 0.463 . . . . 0.0 110.947 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 43.2 t30 . . . . . 0 C--O 1.244 0.81 0 CA-C-O 118.781 -0.628 . . . . 0.0 110.163 178.721 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.2 mtt . . . . . 0 N--CA 1.483 1.183 0 CA-C-O 120.762 0.315 . . . . 0.0 110.8 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -73.24 97.0 2.35 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.964 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -122.72 80.32 1.73 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.717 176.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.414 ' N ' HD13 ' A' ' 4' ' ' LEU . 6.1 mp -94.8 40.85 1.09 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.893 -175.372 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.54 ' O ' ' HG3' ' A' ' 9' ' ' LYS . 85.2 mtt180 -60.68 -50.75 72.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.193 -176.769 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -67.96 -34.68 77.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.008 0.433 . . . . 0.0 110.674 -178.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.568 ' HB3' ' HE1' ' A' ' 51' ' ' TYR . 53.5 mt -69.43 -39.8 77.62 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.74 -177.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -70.7 -38.17 73.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.013 178.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.54 ' HG3' ' O ' ' A' ' 5' ' ' ARG . 53.5 mtpt -59.33 -31.47 69.2 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.312 178.389 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.88 -44.69 86.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.686 0.279 . . . . 0.0 111.098 177.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -66.21 -40.87 90.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.832 0.349 . . . . 0.0 110.524 176.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -62.61 -33.88 75.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.548 177.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.441 ' O ' HG13 ' A' ' 17' ' ' ILE . 25.3 tp60 -62.12 -45.26 94.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.169 177.201 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.623 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -62.02 -46.59 93.75 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.806 -0.712 . . . . 0.0 111.647 177.604 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 82.6 mt -60.16 -43.05 92.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.743 0.306 . . . . 0.0 110.732 178.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.3 tmtm? -56.54 -44.49 80.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.514 177.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.532 ' O ' HG22 ' A' ' 21' ' ' VAL . 69.9 mt -68.66 -42.91 83.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.877 178.269 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.623 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 93.4 mt -57.26 -37.43 72.33 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.959 -179.648 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.594 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 98.9 mttt -57.73 -42.22 83.4 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 121.08 0.467 . . . . 0.0 111.055 176.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -75.22 -32.7 61.22 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.981 -179.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.539 HG21 HD11 ' A' ' 40' ' ' ILE . 87.9 t -59.67 -44.98 94.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.992 178.67 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.594 ' HG ' ' O ' ' A' ' 19' ' ' LYS . 4.4 pp -64.45 -34.74 78.9 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.59 179.442 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -63.69 -47.71 80.06 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 121.282 0.563 . . . . 0.0 109.943 175.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.459 ' HA ' ' HD3' ' A' ' 24' ' ' LYS . 69.7 mmtt -72.27 -21.16 61.41 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.605 -176.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.84 -33.37 70.59 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.949 0.404 . . . . 0.0 110.513 175.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -72.76 -30.83 64.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.255 0.55 . . . . 0.0 110.439 176.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -78.08 -33.56 50.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.794 178.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.63 39.91 47.81 Favored Glycine 0 N--CA 1.448 -0.521 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 -175.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -94.53 100.51 12.47 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 -176.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -60.42 -41.47 94.02 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.61 -176.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -60.99 -50.67 72.45 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 -176.193 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -71.47 -38.56 71.24 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.258 -179.322 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.456 HD22 ' CE2' ' A' ' 93' ' ' PHE . 31.1 mt -59.52 -45.7 91.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.559 0.218 . . . . 0.0 110.863 177.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.63 -44.46 90.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.872 0.368 . . . . 0.0 110.562 178.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.444 HH11 ' HD3' ' A' ' 35' ' ' ARG . 24.5 ttm-85 -59.68 -49.09 79.11 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.125 178.067 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.555 ' O ' HG13 ' A' ' 40' ' ' ILE . 90.7 mt -63.67 -45.08 91.73 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.754 -179.202 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.418 ' O ' HG21 ' A' ' 41' ' ' VAL . 7.6 t30 -59.86 -40.28 88.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.168 0.509 . . . . 0.0 110.199 179.204 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -66.76 -42.73 85.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.571 177.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.48 ' HA ' ' HG2' ' A' ' 42' ' ' LYS . 0.3 OUTLIER -70.57 -30.72 67.5 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.46 -179.579 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.555 HG13 ' O ' ' A' ' 36' ' ' LEU . 83.2 mt -56.97 -49.56 78.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 172.378 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.418 HG21 ' O ' ' A' ' 37' ' ' ASN . 61.9 t -54.8 -40.17 51.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.928 177.803 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.48 ' HG2' ' HA ' ' A' ' 39' ' ' GLU . 37.5 mmtm -58.09 -48.02 81.45 Favored 'General case' 0 CA--C 1.528 0.106 0 CA-C-O 120.907 0.384 . . . . 0.0 110.428 179.134 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.3 -46.45 64.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.413 -176.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.488 ' O ' HG23 ' A' ' 48' ' ' VAL . 7.7 mm-40 -58.84 -46.38 87.85 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.594 -179.32 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.551 ' HE2' HG22 ' A' ' 78' ' ' ILE . 62.3 mmtt -65.51 -37.48 86.89 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.221 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.44 -45.35 93.98 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 177.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -66.27 -47.16 73.74 Favored Glycine 0 N--CA 1.448 -0.545 0 CA-C-N 115.547 -0.751 . . . . 0.0 112.559 178.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.521 HG21 ' HB3' ' A' ' 74' ' ' GLU . 81.0 t -58.14 -41.96 82.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.934 0.367 . . . . 0.0 111.211 -179.643 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -63.66 -50.17 70.31 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.017 -176.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 25.4 m -70.87 -34.44 55.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 111.666 0.247 . . . . 0.0 111.666 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.568 ' HE1' ' HB3' ' A' ' 7' ' ' LEU . 11.4 m-30 -65.51 -37.23 86.16 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.461 0.172 . . . . 0.0 110.923 179.602 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 48.7 tttm -57.51 -44.5 85.09 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.704 0.287 . . . . 0.0 110.703 178.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -69.48 -42.17 75.18 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.999 0.428 . . . . 0.0 110.238 177.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.92 -32.5 72.91 Favored 'General case' 0 C--O 1.225 -0.194 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.439 -179.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.04 -32.87 72.47 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.424 178.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -90.92 -11.9 37.69 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.993 0.425 . . . . 0.0 110.654 -179.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 54.0 mttp -109.76 21.18 17.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.358 176.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.91 -29.27 69.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.767 -174.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.534 ' HD3' ' O ' ' A' ' 59' ' ' ARG . 3.9 tmt_? 78.21 -23.78 0.24 Allowed 'General case' 0 N--CA 1.468 0.439 0 O-C-N 123.699 0.624 . . . . 0.0 111.351 172.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.45 ' HB3' ' CD ' ' A' ' 63' ' ' LYS . 21.4 t-20 -144.44 135.35 12.34 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 122.314 -0.241 . . . . 0.0 110.703 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -56.42 -38.36 95.41 Favored 'Trans proline' 0 CA--C 1.533 0.442 0 C-N-CA 123.633 2.889 . . . . 0.0 114.318 -176.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -69.49 -44.37 71.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.807 0.336 . . . . 0.0 110.876 -175.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.45 ' CD ' ' HB3' ' A' ' 60' ' ' ASN . 7.3 ptmm? -75.87 -26.44 57.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.925 0.393 . . . . 0.0 110.35 177.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -58.55 -44.13 89.56 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 174.204 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 24.9 tm0? -56.99 -42.32 80.05 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.896 179.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.53 HG11 ' HG3' ' A' ' 110' ' ' GLU . 87.2 t -59.02 -49.98 81.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.01 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 49.2 mm -65.44 -45.75 92.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.794 -179.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -63.24 -37.92 89.14 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.408 -178.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -60.73 -46.28 91.02 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.102 0.477 . . . . 0.0 111.135 178.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 16.1 mt -72.19 -37.15 58.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.109 178.538 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -54.76 -41.81 70.92 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 175.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -64.69 -47.37 78.62 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.944 175.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.53 ' HB3' ' CE1' ' A' ' 107' ' ' HIS . 0.4 OUTLIER -71.24 -39.05 71.9 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.914 -173.357 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.521 ' HB3' HG21 ' A' ' 48' ' ' VAL . 3.2 tp10 -66.81 -34.4 77.72 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.607 -173.435 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.504 ' HA ' ' OE1' ' A' ' 75' ' ' GLU . 1.3 mm-40 -67.87 -34.64 77.06 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 121.376 0.607 . . . . 0.0 110.222 172.345 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.518 ' HB3' ' O ' ' A' ' 73' ' ' ASP . 87.7 tttt -61.29 -33.89 74.3 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.686 178.429 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 51.8 m170 -68.99 -48.11 63.9 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.262 0.553 . . . . 0.0 110.712 179.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.551 HG22 ' HE2' ' A' ' 45' ' ' LYS . 57.9 mt -59.57 -48.89 85.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.053 -174.782 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.471 ' HA ' ' HD3' ' A' ' 82' ' ' LYS . 73.4 mm-40 -58.47 -32.7 69.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.982 178.818 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 10.0 t-105 -68.67 -49.6 57.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.675 -0.239 . . . . 0.0 110.485 179.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 44.1 m-70 -61.9 -32.36 72.73 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-O 120.703 0.287 . . . . 0.0 111.772 176.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.471 ' HD3' ' HA ' ' A' ' 79' ' ' GLU . 52.3 mtpt -62.04 -47.34 85.18 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.848 0.356 . . . . 0.0 110.687 175.434 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.11 -30.44 68.72 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.324 -179.148 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.54 -11.46 60.03 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -174.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 77.9 p -77.87 64.49 3.12 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 121.321 0.581 . . . . 0.0 111.491 -176.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 37.2 mmtm -138.52 154.69 48.78 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.302 178.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -66.72 143.94 56.65 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.192 -177.014 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 103.6 -12.26 53.94 Favored Glycine 0 N--CA 1.448 -0.509 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.568 -177.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -84.94 86.13 7.41 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.812 0.339 . . . . 0.0 110.575 -177.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -125.64 -71.78 0.69 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.344 177.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -58.75 -39.32 80.58 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.347 0.594 . . . . 0.0 110.356 176.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.505 ' O ' ' HG ' ' A' ' 96' ' ' LEU . 2.2 mp0 -68.04 -38.22 82.24 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.549 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.456 ' CE2' HD22 ' A' ' 33' ' ' LEU . 0.9 OUTLIER -62.97 -37.63 87.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.206 -177.682 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.407 ' O ' ' HG3' ' A' ' 98' ' ' GLN . . . -60.73 -30.46 69.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.991 176.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 22.4 t -84.67 -36.48 21.89 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.906 0.384 . . . . 0.0 110.6 177.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 92' ' ' GLN . 89.5 mt -65.69 -38.41 89.15 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.282 -177.695 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 14.7 p -62.48 -34.76 66.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.4 178.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.407 ' HG3' ' O ' ' A' ' 94' ' ' ALA . 90.5 mt-30 -57.46 -44.05 84.51 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.362 178.227 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -65.52 -42.97 91.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.844 -175.009 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -68.58 -42.33 78.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.841 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.408 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 55.3 tp -61.16 -48.37 81.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.754 -179.027 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -66.81 -34.77 78.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.567 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -65.01 -49.92 68.31 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.641 -179.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -66.32 -22.34 66.28 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 120.508 0.194 . . . . 0.0 110.509 -177.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.412 ' O ' ' HG3' ' A' ' 109' ' ' GLU . 78.1 mt-30 -61.61 -46.36 90.15 Favored 'General case' 0 C--N 1.333 -0.136 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 172.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.5 -33.77 76.31 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.341 175.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.53 ' CE1' ' HB3' ' A' ' 73' ' ' ASP . 12.3 m170 -60.6 -49.79 76.13 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.17 0.509 . . . . 0.0 110.286 177.258 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 85.8 t -67.69 -37.97 79.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.719 179.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' ' 105' ' ' GLN . 47.9 mt-10 -57.39 -34.06 68.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.977 174.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.53 ' HG3' HG11 ' A' ' 66' ' ' VAL . 5.9 tp10 -69.75 -45.13 68.79 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.042 -178.723 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.475 HG13 ' O ' ' A' ' 107' ' ' HIS . 0.9 OUTLIER -93.38 -65.62 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.291 0.567 . . . . 0.0 112.247 -174.291 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.401 ' O ' ' HB2' ' A' ' 113' ' ' LYS . 5.1 tm-20 -65.33 -65.2 0.7 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.715 -166.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 112' ' ' GLU . 42.4 mttp 71.65 4.42 5.04 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 113.711 1.004 . . . . 0.0 113.711 172.492 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -104.78 -52.15 2.92 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.103 0.477 . . . . 0.0 110.11 178.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 . . . . . 0 C--O 1.25 1.1 0 CA-C-N 115.245 -0.888 . . . . 0.0 110.67 177.745 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.8 ttp . . . . . 0 N--CA 1.483 1.186 0 CA-C-O 120.384 0.135 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.423 ' CG ' HH21 ' A' ' 59' ' ' ARG . 12.6 t70 63.24 73.84 0.44 Allowed 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.416 0.627 . . . . 0.0 109.908 179.776 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -159.09 147.35 17.96 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.119 -175.32 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.2 mp -118.68 -27.55 5.84 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.688 0.28 . . . . 0.0 111.572 -175.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -68.26 -37.37 80.66 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -174.498 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -58.32 -35.58 72.1 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.895 0.378 . . . . 0.0 110.84 175.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.672 ' HG ' HG21 ' A' ' 50' ' ' VAL . 6.8 mp -71.36 -42.95 67.82 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.067 179.587 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -65.88 -39.97 91.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.498 -0.773 . . . . 0.0 110.018 179.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -61.72 -41.84 98.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.558 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.94 -41.64 91.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.691 0.281 . . . . 0.0 110.846 179.339 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -61.29 -44.29 97.46 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-O 121.197 0.522 . . . . 0.0 109.789 177.016 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 71.5 mm-40 -61.88 -38.9 90.03 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.139 177.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.473 ' O ' HG13 ' A' ' 17' ' ' ILE . 48.9 mt-30 -61.3 -44.76 96.68 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.028 179.428 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.621 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -59.9 -46.5 94.01 Favored Glycine 0 C--N 1.332 0.358 0 C-N-CA 120.673 -0.775 . . . . 0.0 111.82 177.573 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.531 ' HA ' HD12 ' A' ' 18' ' ' LEU . 79.1 mt -58.61 -42.13 84.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.033 0.444 . . . . 0.0 111.121 179.088 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 31.0 ttmt -65.14 -41.35 94.88 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.895 -177.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 13' ' ' GLN . 58.1 mt -69.06 -33.45 58.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.567 178.259 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.621 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 86.9 mt -57.05 -37.56 71.98 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.213 178.806 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -66.92 -37.34 84.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.909 0.385 . . . . 0.0 110.839 179.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -62.79 -36.9 84.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.018 178.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.448 HG12 HG23 ' A' ' 97' ' ' VAL . 64.9 t -60.47 -41.56 88.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.643 178.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 48.4 mt -62.89 -38.11 89.59 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.589 -179.05 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -71.99 -48.03 47.72 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.172 179.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.44 -26.6 61.9 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.84 -174.736 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.23 -36.29 79.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.976 0.417 . . . . 0.0 110.516 176.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -71.9 -34.5 69.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.491 177.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -67.08 -31.53 72.08 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.212 175.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 84.89 35.14 13.37 Favored Glycine 0 N--CA 1.449 -0.447 0 CA-C-N 115.772 -0.649 . . . . 0.0 113.4 172.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -109.9 128.98 55.69 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.863 0.363 . . . . 0.0 110.503 176.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -89.95 -24.0 21.41 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.191 -175.196 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -61.96 -46.79 87.72 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 174.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.446 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 20.2 mm-40 -60.95 -45.57 94.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.743 174.322 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 50.9 mt -58.88 -41.94 88.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.442 -179.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.76 -45.86 87.93 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 120.748 0.309 . . . . 0.0 110.479 178.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 51.7 ttm-85 -60.25 -49.12 78.86 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.047 177.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.505 ' O ' HG13 ' A' ' 40' ' ' ILE . 96.0 mt -62.71 -42.89 99.88 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.712 -178.244 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.454 ' O ' HG23 ' A' ' 41' ' ' VAL . 25.7 t-20 -56.02 -48.71 75.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.139 178.232 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.48 -48.18 80.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.032 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -65.48 -32.42 74.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.682 -0.236 . . . . 0.0 111.382 -176.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.547 ' O ' ' HG2' ' A' ' 44' ' ' GLU . 80.1 mt -62.37 -49.51 83.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 174.243 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 37' ' ' ASN . 83.9 t -57.69 -40.66 76.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.721 179.263 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -59.36 -45.63 90.89 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.075 177.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.78 -47.06 70.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.979 -178.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.547 ' HG2' ' O ' ' A' ' 40' ' ' ILE . 6.3 mm-40 -58.99 -47.24 85.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.646 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.505 ' HG2' HD13 ' A' ' 78' ' ' ILE . 13.6 mmtm -65.69 -37.15 85.66 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.407 -179.344 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 27.6 tp60 -60.82 -41.72 96.3 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 177.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -68.78 -47.42 55.68 Favored Glycine 0 N--CA 1.444 -0.794 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.993 176.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.531 HG13 ' HE2' ' A' ' 52' ' ' LYS . 62.9 t -53.86 -42.4 52.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.767 0.283 . . . . 0.0 111.188 179.762 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -65.93 -46.76 77.06 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 121.085 -0.246 . . . . 0.0 111.309 -178.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.672 HG21 ' HG ' ' A' ' 7' ' ' LEU . 28.8 m -70.46 -32.56 50.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 120.859 -0.336 . . . . 0.0 111.417 -179.327 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.458 ' CD1' HD21 ' A' ' 7' ' ' LEU . 31.3 m-85 -64.93 -42.93 94.25 Favored 'General case' 0 CA--C 1.522 -0.129 0 CA-C-O 120.766 0.317 . . . . 0.0 110.355 174.277 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.531 ' HE2' HG13 ' A' ' 48' ' ' VAL . 43.9 mtmt -59.24 -42.27 90.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.02 177.235 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -59.66 -46.88 87.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.558 179.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.16 -33.09 67.44 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.937 -178.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.26 -47.69 84.88 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -175.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -86.33 7.94 23.49 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.872 0.367 . . . . 0.0 111.774 -176.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 39.1 tttm -139.65 23.5 2.47 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.234 0.54 . . . . 0.0 109.736 -179.091 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.24 155.6 40.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.771 -0.65 . . . . 0.0 112.12 -174.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.423 HH21 ' CG ' ' A' ' 2' ' ' ASP . 62.8 mtt180 -93.56 -4.02 51.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.867 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -153.46 116.79 2.73 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.564 -178.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -56.83 -44.26 46.62 Favored 'Trans proline' 0 CA--C 1.531 0.341 0 C-N-CA 123.159 2.573 . . . . 0.0 113.241 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -60.73 -43.37 97.96 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 120.687 0.28 . . . . 0.0 111.356 -179.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.451 ' O ' ' HB ' ' A' ' 66' ' ' VAL . 50.2 tptt -73.45 -28.7 62.1 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.224 179.272 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.08 -37.58 86.15 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.45 176.507 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.533 ' O ' ' HG3' ' A' ' 69' ' ' LYS . 55.6 tt0 -59.92 -31.74 70.12 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 121.01 0.433 . . . . 0.0 110.2 178.405 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.525 ' CG1' ' HB3' ' A' ' 110' ' ' GLU . 83.1 t -59.23 -48.54 86.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.529 170.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 64.3 mt -61.85 -40.8 88.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.99 178.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -55.79 -44.42 77.74 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-O 120.767 0.318 . . . . 0.0 110.942 178.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.533 ' HG3' ' O ' ' A' ' 65' ' ' GLN . 48.1 mttp -64.73 -45.57 85.93 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.909 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.436 ' O ' ' HB2' ' A' ' 74' ' ' GLU . 1.7 mp -66.25 -39.52 84.49 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.381 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.405 179.408 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -59.88 -49.5 77.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.357 -179.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -66.34 -43.51 85.86 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.213 0.53 . . . . 0.0 110.351 -179.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -62.75 -44.94 94.89 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.634 179.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.436 ' HB2' ' O ' ' A' ' 70' ' ' ILE . 4.9 tp10 -66.23 -39.13 89.34 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.344 -176.761 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.494 ' OE1' ' HA ' ' A' ' 75' ' ' GLU . 0.4 OUTLIER -64.39 -34.68 78.72 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 121.039 0.447 . . . . 0.0 110.39 175.218 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.58 -33.35 75.7 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.927 177.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 64.6 m170 -59.84 -44.65 93.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.257 0.551 . . . . 0.0 109.843 174.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.505 HD13 ' HG2' ' A' ' 45' ' ' LYS . 64.9 mt -66.3 -37.52 79.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.692 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -55.26 -43.1 74.37 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.059 0.457 . . . . 0.0 109.952 174.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.683 ' CZ2' HD11 ' A' ' 96' ' ' LEU . 15.6 t-105 -69.57 -58.29 4.13 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.422 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 26.6 m-70 -58.47 -34.19 70.59 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -172.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 25.3 ttpp -72.74 -39.92 66.47 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.994 0.426 . . . . 0.0 110.432 -179.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.69 -30.22 65.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.112 0.482 . . . . 0.0 110.638 176.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.07 -10.36 57.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.443 -0.799 . . . . 0.0 112.159 -178.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 34.1 m -66.83 87.0 0.13 Allowed 'General case' 0 CA--C 1.534 0.338 0 CA-C-O 121.181 0.515 . . . . 0.0 110.825 178.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 35.4 mmtp -123.14 -177.28 3.64 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.828 179.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -120.22 137.3 54.28 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 177.675 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 70.77 31.92 67.19 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.893 -0.67 . . . . 0.0 113.425 177.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 50.0 t-20 -140.8 119.45 12.42 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.897 0.349 . . . . 0.0 110.143 178.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -140.0 -21.27 0.87 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.333 178.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -66.74 -50.64 62.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.876 0.37 . . . . 0.0 110.908 -174.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 25.9 mp0 -70.34 -42.83 71.36 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.316 0.579 . . . . 0.0 109.908 176.205 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.508 ' O ' HG21 ' A' ' 97' ' ' VAL . 72.1 t80 -55.05 -53.82 50.96 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.887 -1.051 . . . . 0.0 111.614 -176.707 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.69 -41.31 97.41 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.742 0.306 . . . . 0.0 111.496 -177.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 15.7 m -61.8 -39.69 92.61 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.355 0.598 . . . . 0.0 110.383 -179.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.683 HD11 ' CZ2' ' A' ' 80' ' ' TRP . 6.2 mt -72.78 -32.84 65.89 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.428 178.289 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.508 HG21 ' O ' ' A' ' 93' ' ' PHE . 79.5 t -64.56 -36.59 77.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.903 0.382 . . . . 0.0 110.881 175.688 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -59.02 -36.11 74.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.088 0.47 . . . . 0.0 110.893 177.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.595 HE21 ' HA ' ' A' ' 96' ' ' LEU . 47.9 mt-30 -73.86 -34.22 64.4 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.677 179.226 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 6.9 t-160 -60.89 -41.38 95.91 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 173.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 50.6 tp -58.45 -48.48 80.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.194 179.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -66.77 -35.36 79.91 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 121.051 0.453 . . . . 0.0 110.744 179.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -58.89 -47.9 83.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.216 178.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.432 ' O ' ' HB2' ' A' ' 107' ' ' HIS . 15.5 mm-40 -65.57 -23.75 66.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.253 -176.01 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.486 ' O ' ' HG3' ' A' ' 109' ' ' GLU . 78.2 mt-30 -64.61 -40.46 95.55 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.118 176.393 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.491 ' HA ' ' OE1' ' A' ' 109' ' ' GLU . 53.8 mtt180 -62.34 -35.8 80.23 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.155 0.503 . . . . 0.0 109.997 175.789 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.616 ' O ' HG12 ' A' ' 111' ' ' ILE . 16.1 m170 -60.13 -50.05 75.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.682 177.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.408 HG22 ' O ' ' A' ' 104' ' ' GLU . 59.1 t -58.83 -37.79 68.68 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.58 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.491 ' OE1' ' HA ' ' A' ' 106' ' ' ARG . 45.0 mt-10 -58.11 -48.32 80.54 Favored 'General case' 0 N--CA 1.461 0.118 0 CA-C-O 120.94 0.4 . . . . 0.0 110.58 179.576 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.525 ' HB3' ' CG1' ' A' ' 66' ' ' VAL . 21.5 mm-40 -71.45 -38.1 71.32 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.859 179.68 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.616 HG12 ' O ' ' A' ' 107' ' ' HIS . 46.7 mm -62.42 -65.74 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.965 -179.216 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -135.97 81.38 1.88 Allowed 'General case' 0 N--CA 1.447 -0.614 0 CA-C-O 121.188 0.518 . . . . 0.0 111.345 -176.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.417 ' HB3' ' O ' ' A' ' 109' ' ' GLU . 18.0 pttp -80.9 5.28 16.61 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.038 174.797 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -100.48 -21.42 15.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.364 175.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.738 -0.648 . . . . 0.0 110.423 -176.014 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.3 ttm . . . . . 0 N--CA 1.48 1.074 0 CA-C-O 121.127 0.489 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -146.56 103.42 3.67 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.289 176.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.647 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 15.5 mp0 -103.2 -5.91 22.68 Favored 'General case' 0 C--N 1.312 -1.024 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 175.42 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.629 ' O ' ' HG ' ' A' ' 8' ' ' LEU . 9.4 mp -66.84 -32.15 73.23 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.013 -175.352 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -58.17 -49.97 75.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.809 0.337 . . . . 0.0 110.657 178.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -71.9 -34.3 69.01 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.101 177.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.647 ' HG ' ' O ' ' A' ' 3' ' ' GLU . 75.7 mt -60.36 -28.87 68.52 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 178.386 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.629 ' HG ' ' O ' ' A' ' 4' ' ' LEU . 82.9 mt -58.91 -29.12 66.82 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.735 -179.132 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -57.22 -34.59 68.72 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.974 -172.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.34 -48.87 73.9 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.973 -0.291 . . . . 0.0 111.342 -176.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -70.43 -39.58 74.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.618 178.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.442 ' HG2' ' O ' ' A' ' 8' ' ' LEU . 31.8 mm-40 -62.08 -46.03 90.9 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.8 0.334 . . . . 0.0 110.599 179.014 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.435 ' O ' HG13 ' A' ' 17' ' ' ILE . 51.0 tp60 -65.99 -43.56 87.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.547 -178.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.644 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -58.58 -46.96 92.52 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.991 178.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.506 ' HA ' HD13 ' A' ' 18' ' ' LEU . 77.0 mt -64.06 -39.21 84.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.604 0.24 . . . . 0.0 110.668 178.186 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.413 ' HA ' ' CE ' ' A' ' 19' ' ' LYS . 12.2 tmtt? -58.01 -46.91 84.52 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 179.099 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.435 HG13 ' O ' ' A' ' 13' ' ' GLN . 67.9 mt -66.18 -33.58 64.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.763 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.644 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 97.7 mt -57.85 -39.46 77.77 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.078 177.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.471 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -65.7 -38.45 89.28 Favored 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 121.074 -0.25 . . . . 0.0 110.822 176.775 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.41 ' CD ' ' HZ2' ' A' ' 16' ' ' LYS . 5.7 mm-40 -62.5 -40.66 97.43 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.313 0.578 . . . . 0.0 110.1 -179.673 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.518 HG22 HD12 ' A' ' 40' ' ' ILE . 96.1 t -61.21 -45.62 98.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.856 178.19 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 97.4 mt -60.33 -38.0 82.39 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.83 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.471 ' HG3' ' O ' ' A' ' 19' ' ' LYS . 95.7 mttt -60.81 -48.65 80.83 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.792 179.078 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.802 ' HA ' ' HE3' ' A' ' 24' ' ' LYS . 1.1 tpmt? -71.69 -35.81 70.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.799 -175.483 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.451 ' HA ' HD12 ' A' ' 33' ' ' LEU . . . -60.7 -42.08 96.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.048 178.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -72.24 -20.29 61.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.392 179.095 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -82.43 -20.23 37.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.092 0.472 . . . . 0.0 110.009 174.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 77.68 25.6 62.47 Favored Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.858 -0.61 . . . . 0.0 112.626 178.054 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.493 ' HB3' ' HE2' ' A' ' 24' ' ' LYS . 18.6 t70 -101.41 125.92 48.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.868 0.365 . . . . 0.0 110.114 179.639 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -95.06 -9.81 32.66 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.359 -173.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -70.16 -51.69 29.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.211 -175.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.509 ' HB2' ' CD ' ' A' ' 24' ' ' LYS . 1.1 mp0 -71.44 -37.24 71.42 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.969 178.261 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.451 HD12 ' HA ' ' A' ' 25' ' ' ALA . 18.8 mt -56.19 -36.93 68.95 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -174.323 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.89 -45.12 83.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.144 0.497 . . . . 0.0 110.503 178.116 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 35' ' ' ARG . 23.5 ttt180 -70.2 -40.05 74.82 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.268 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.463 ' O ' HG13 ' A' ' 40' ' ' ILE . 94.2 mt -63.3 -42.44 99.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.857 0.361 . . . . 0.0 110.425 178.706 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -59.7 -38.95 83.0 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.13 176.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -70.15 -36.96 75.1 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.468 177.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -64.02 -36.21 83.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.044 0.45 . . . . 0.0 110.138 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.518 HD12 HG22 ' A' ' 21' ' ' VAL . 79.1 mt -60.17 -47.3 92.62 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.133 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.71 177.554 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.418 HG11 HG23 ' A' ' 78' ' ' ILE . 57.7 t -54.67 -40.5 51.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.042 -179.287 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -63.18 -44.49 95.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.993 178.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.02 -46.3 68.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.448 -176.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.447 ' O ' HG21 ' A' ' 48' ' ' VAL . 8.0 mm-40 -58.87 -47.33 85.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.771 -179.465 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.452 ' HE2' HG22 ' A' ' 78' ' ' ILE . 62.0 mttm -69.87 -30.84 68.4 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.26 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.415 ' O ' HG22 ' A' ' 50' ' ' VAL . 58.9 tp60 -59.65 -42.89 93.81 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 177.05 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.1 -48.05 61.64 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.574 -0.822 . . . . 0.0 111.881 176.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.447 HG21 ' O ' ' A' ' 44' ' ' GLU . 77.6 t -55.24 -48.79 76.08 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 CA-C-O 120.822 0.344 . . . . 0.0 111.585 -179.119 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -57.0 -49.41 75.86 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.38 -177.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.415 HG22 ' O ' ' A' ' 46' ' ' GLN . 28.1 t -70.32 -37.84 72.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.885 0.374 . . . . 0.0 110.95 -179.522 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.622 ' HE1' ' HB3' ' A' ' 7' ' ' LEU . 10.3 m-30 -63.0 -44.27 96.49 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.503 -179.067 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.462 ' HB2' HD11 ' A' ' 71' ' ' LEU . 34.4 ttpt -62.92 -35.7 80.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.751 0.31 . . . . 0.0 110.794 -177.356 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.8 tm-20 -60.41 -48.83 80.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.601 179.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.05 -37.92 66.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.782 -0.645 . . . . 0.0 112.167 -179.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.71 -44.73 86.13 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 112.014 0.375 . . . . 0.0 112.014 -175.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -83.24 3.45 31.11 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.969 0.414 . . . . 0.0 110.859 -178.33 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -116.28 -22.23 8.95 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.102 -172.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -75.22 144.23 42.73 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.026 -179.214 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 45.3 mtm-85 -93.34 -1.29 56.11 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.798 -179.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.486 ' HB2' ' HB3' ' A' ' 63' ' ' LYS . 17.2 m120 -101.2 113.99 65.79 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.726 -176.133 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_exo -57.59 -48.39 17.35 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 123.189 2.593 . . . . 0.0 113.142 -177.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.24 -38.56 75.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.88 0.372 . . . . 0.0 110.616 -176.779 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.486 ' HB3' ' HB2' ' A' ' 60' ' ' ASN . 87.4 tttt -64.42 -36.2 83.38 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.876 177.773 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 43.2 ttt-85 -67.99 -41.26 82.58 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.478 176.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 23.3 tm0? -56.48 -44.05 80.23 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 -179.1 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 88.7 t -58.82 -47.72 88.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.084 0.469 . . . . 0.0 110.317 178.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 68.8 mt -64.48 -46.99 91.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.914 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -59.19 -44.41 92.21 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.624 -178.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -61.02 -45.37 95.09 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.99 -179.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.425 HD12 HD11 ' A' ' 111' ' ' ILE . 83.7 mt -68.84 -41.55 82.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.662 179.727 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.462 HD11 ' HB2' ' A' ' 52' ' ' LYS . 6.5 tt -58.04 -44.51 87.44 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.375 178.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -64.44 -42.24 96.09 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.659 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.448 ' HB3' ' CE1' ' A' ' 107' ' ' HIS . 18.6 t0 -67.89 -41.53 82.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.409 0.623 . . . . 0.0 110.649 -178.307 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.442 ' OE1' ' HA ' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -60.8 -41.8 96.36 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.581 -174.295 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.499 ' HA ' HD12 ' A' ' 78' ' ' ILE . 49.6 mm-40 -68.3 -34.43 76.12 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 120.776 0.322 . . . . 0.0 110.644 175.692 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.425 ' HB3' ' O ' ' A' ' 73' ' ' ASP . 64.1 tttm -59.2 -37.07 76.53 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.393 177.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 57.3 m170 -66.12 -46.35 77.87 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.575 0.702 . . . . 0.0 110.287 176.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.499 HD12 ' HA ' ' A' ' 75' ' ' GLU . 75.6 mt -59.59 -37.22 69.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 114.872 -1.058 . . . . 0.0 111.522 -178.312 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -55.16 -41.04 71.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.376 178.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 38.7 t-105 -71.25 -54.29 11.4 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 179.248 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 80.1 m-70 -59.37 -32.09 69.82 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 -178.016 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -61.62 -42.77 99.35 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.845 0.355 . . . . 0.0 110.705 177.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.84 -28.56 64.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.946 0.403 . . . . 0.0 110.894 179.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.31 -9.67 58.81 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.192 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 34.7 m -76.01 42.17 0.24 Allowed 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 113.221 0.823 . . . . 0.0 113.221 -172.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -138.71 92.01 2.58 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 173.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.2 tp60 68.69 130.5 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.039 -0.982 . . . . 0.0 111.048 -174.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -69.07 141.16 35.45 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.26 -179.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.531 ' HB3' ' HB2' ' A' ' 93' ' ' PHE . 25.5 t-20 -116.27 151.12 36.43 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 176.106 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -108.13 -66.48 1.04 Allowed 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.775 -0.37 . . . . 0.0 111.899 -176.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -64.42 -49.08 72.94 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -169.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -70.76 -49.69 44.02 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.618 0.723 . . . . 0.0 110.468 177.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.531 ' HB2' ' HB3' ' A' ' 89' ' ' ASN . 63.5 t80 -60.19 -37.93 81.72 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.58 -1.191 . . . . 0.0 112.303 -171.53 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.23 -41.47 79.56 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 -178.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 10.4 t -69.27 -30.68 68.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.01 0.433 . . . . 0.0 110.681 -176.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -72.55 -36.94 68.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.127 179.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.453 HG21 ' O ' ' A' ' 93' ' ' PHE . 54.9 t -63.99 -36.67 77.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.087 0.47 . . . . 0.0 110.523 178.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 65.0 mt-30 -61.35 -40.36 94.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.619 178.104 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -63.53 -41.69 98.46 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.311 178.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -59.08 -44.31 91.88 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.001 177.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.512 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 1.4 tt -64.31 -43.33 95.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.567 -177.472 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -61.15 -35.94 78.45 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.388 0.613 . . . . 0.0 110.53 178.253 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -68.12 -47.3 68.51 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 114.944 -1.025 . . . . 0.0 111.011 -178.22 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -64.85 -28.63 69.69 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.521 -177.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.512 ' HG3' ' O ' ' A' ' 101' ' ' LEU . 79.8 mt-30 -60.87 -36.27 78.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.732 0.301 . . . . 0.0 110.555 179.701 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.12 -40.01 95.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.339 177.545 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.614 ' O ' HG13 ' A' ' 111' ' ' ILE . 64.8 m170 -60.81 -49.94 75.44 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.206 177.696 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 95.9 t -59.55 -40.6 82.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.7 -177.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.51 ' HG3' ' O ' ' A' ' 105' ' ' GLN . 49.3 mt-10 -62.0 -38.06 87.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.746 0.308 . . . . 0.0 111.166 -178.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.447 ' O ' ' HE2' ' A' ' 113' ' ' LYS . 43.0 mt-10 -72.06 -29.19 63.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.633 178.029 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.614 HG13 ' O ' ' A' ' 107' ' ' HIS . 23.1 mt -86.11 -64.49 1.06 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.331 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 -177.813 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -77.42 42.82 0.36 Allowed 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 112.638 0.606 . . . . 0.0 112.638 -169.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.447 ' HE2' ' O ' ' A' ' 110' ' ' GLU . 59.1 pttt -106.71 -25.23 11.84 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.842 0.353 . . . . 0.0 110.422 174.137 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 59.2 mmtt -106.49 -5.57 18.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.327 0.584 . . . . 0.0 110.142 173.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 8.7 m120 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.238 -0.886 . . . . 0.0 109.709 177.416 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 mpt? . . . . . 0 N--CA 1.482 1.147 0 CA-C-O 120.345 0.116 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -147.02 136.7 23.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.735 -0.211 . . . . 0.0 110.528 -177.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.569 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 42.7 mm-40 -52.45 -50.91 61.69 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 123.533 0.521 . . . . 0.0 111.176 -177.83 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 98.0 mt -61.55 -46.29 90.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.57 -173.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.502 ' HD2' ' N ' ' A' ' 5' ' ' ARG . 7.4 mpt_? -67.28 -43.02 82.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.584 0.231 . . . . 0.0 111.206 -176.69 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.17 -40.45 82.31 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.3 -179.184 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.569 ' HG ' ' O ' ' A' ' 3' ' ' GLU . 85.1 mt -72.66 -43.76 62.75 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 111.75 0.278 . . . . 0.0 111.75 -178.68 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.432 HD21 HG12 ' A' ' 108' ' ' VAL . 0.9 OUTLIER -71.74 -41.95 67.86 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.849 -174.071 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.6 ttmm -61.33 -32.94 72.82 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.228 -177.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.84 -46.53 84.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.961 179.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.432 ' HG2' ' OH ' ' A' ' 51' ' ' TYR . 5.5 mm-40 -63.89 -47.31 81.14 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.734 177.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -62.82 -32.99 74.29 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.405 -178.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.414 ' O ' HG13 ' A' ' 17' ' ' ILE . 46.6 tt0 -65.69 -45.15 83.89 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 176.42 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.64 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -62.27 -46.87 93.02 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.498 -0.858 . . . . 0.0 111.59 175.388 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.423 HG13 ' O ' ' A' ' 11' ' ' GLU . 77.0 mt -60.08 -43.75 93.49 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 C-N-CA 122.525 0.33 . . . . 0.0 110.974 178.749 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 57.0 tptt -54.55 -47.38 73.28 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.601 178.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.512 ' O ' HG22 ' A' ' 21' ' ' VAL . 56.1 mt -68.61 -42.87 83.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.85 179.339 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.64 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 96.1 mt -57.54 -39.78 77.36 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.874 0.368 . . . . 0.0 110.97 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -67.15 -34.1 76.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.271 178.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.1 -36.23 77.32 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.964 0.411 . . . . 0.0 110.371 175.508 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.512 HG22 ' O ' ' A' ' 17' ' ' ILE . 82.4 t -59.92 -37.41 71.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.95 178.367 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 98.1 mt -54.97 -46.15 75.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.846 -177.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.512 ' NZ ' ' HB3' ' A' ' 23' ' ' LYS . 8.1 mtpm? -69.11 -43.58 74.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.012 0.434 . . . . 0.0 110.944 178.4 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.506 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . 64.6 mttm -71.81 -21.15 61.74 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.583 -175.333 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.67 -34.9 70.08 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 172.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -71.73 -27.46 63.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.404 175.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.506 ' HG2' ' HA ' ' A' ' 24' ' ' LYS . 23.4 mm-40 -64.85 -40.25 94.86 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.565 174.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 81.54 32.81 29.67 Favored Glycine 0 N--CA 1.448 -0.548 0 CA-C-N 115.742 -0.663 . . . . 0.0 112.506 176.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -105.52 119.93 40.34 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.145 0.497 . . . . 0.0 110.402 177.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.427 ' HG3' ' HA3' ' A' ' 88' ' ' GLY . 27.8 tt0 -77.02 -32.25 56.93 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.971 -174.406 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -67.87 -40.12 83.65 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.321 0.581 . . . . 0.0 109.711 178.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.428 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 35.5 tp10 -60.97 -48.37 82.12 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.032 174.14 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 32.6 mt -57.43 -42.69 82.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.394 -0.821 . . . . 0.0 112.122 -179.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.35 -39.97 94.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.876 0.37 . . . . 0.0 111.313 -179.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.438 HH11 ' HD2' ' A' ' 35' ' ' ARG . 17.6 ttm105 -65.6 -40.63 92.89 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.4 179.215 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.467 ' O ' HG13 ' A' ' 40' ' ' ILE . 91.6 mt -63.56 -45.61 89.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.269 -179.096 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -56.4 -42.33 77.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.787 -176.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.502 ' O ' ' HG2' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -55.76 -48.91 74.47 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.305 179.919 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -65.73 -31.86 73.09 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.394 -178.087 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' ' 36' ' ' LEU . 71.5 mt -66.02 -46.78 87.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.51 179.062 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.9 t -57.84 -41.0 78.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.364 179.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.502 ' HG2' ' O ' ' A' ' 38' ' ' GLN . 30.1 mmmt -60.34 -42.72 96.25 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.699 178.377 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.75 -46.68 65.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.205 -177.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.471 ' O ' HG21 ' A' ' 48' ' ' VAL . 13.3 mm-40 -59.71 -44.98 93.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.97 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.465 ' HD3' ' HA ' ' A' ' 45' ' ' LYS . 61.6 mmtt -67.95 -31.92 72.0 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.654 -0.248 . . . . 0.0 111.53 179.754 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 54.9 tp60 -60.15 -43.4 95.79 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 173.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.29 -46.75 93.27 Favored Glycine 0 N--CA 1.446 -0.638 0 CA-C-N 115.277 -0.874 . . . . 0.0 112.01 175.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.471 HG21 ' O ' ' A' ' 44' ' ' GLU . 93.0 t -54.34 -42.02 55.75 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-O 120.694 0.283 . . . . 0.0 111.277 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -59.98 -51.46 69.59 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.112 -179.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 29.0 m -70.49 -30.43 42.71 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.505 -178.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.46 ' CD1' HD23 ' A' ' 7' ' ' LEU . 14.9 m-85 -69.6 -38.07 77.16 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 116.898 -0.137 . . . . 0.0 111.17 178.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -70.02 -37.6 75.66 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 176.424 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -63.21 -37.89 89.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.966 176.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.89 -42.3 66.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.039 177.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.93 -39.61 90.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.775 0.322 . . . . 0.0 111.322 -179.417 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -82.48 -0.29 45.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.194 178.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -116.73 5.5 13.14 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.267 0.556 . . . . 0.0 109.544 177.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.7 148.4 48.05 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.48 -174.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.405 ' O ' ' HB2' ' A' ' 60' ' ' ASN . 63.6 mtt180 -108.99 118.64 37.33 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.35 177.736 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.405 ' HB2' ' O ' ' A' ' 59' ' ' ARG . 48.4 m-80 73.43 138.0 0.06 OUTLIER Pre-proline 0 N--CA 1.468 0.425 0 O-C-N 123.806 0.691 . . . . 0.0 110.586 -176.226 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_endo -56.54 -31.4 86.32 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 123.31 2.673 . . . . 0.0 113.287 -175.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -61.94 -42.26 98.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.883 0.373 . . . . 0.0 111.383 -177.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -70.63 -35.4 72.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.887 0.375 . . . . 0.0 110.069 -178.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 64' ' ' ARG . 26.4 ttt85 -66.62 -37.73 85.47 Favored 'General case' 0 C--O 1.221 -0.423 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.327 177.319 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -55.87 -41.06 73.83 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 122.651 0.381 . . . . 0.0 110.843 179.806 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 96.8 t -62.37 -50.46 79.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.066 177.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 59.9 mt -67.13 -38.31 80.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -57.22 -44.55 83.85 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.826 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.426 ' C ' ' HD3' ' A' ' 69' ' ' LYS . 14.0 tmtt? -59.72 -42.92 94.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.533 178.674 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.479 ' O ' ' HG2' ' A' ' 74' ' ' GLU . 65.3 mt -64.75 -45.18 95.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.664 -179.564 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.0 tt -61.05 -48.91 79.58 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.222 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -61.07 -36.08 78.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.925 178.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -66.0 -45.65 80.8 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.676 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.493 ' O ' HG13 ' A' ' 78' ' ' ILE . 69.0 mm-40 -60.81 -39.43 88.93 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.45 -177.647 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.413 ' HA ' ' OE1' ' A' ' 75' ' ' GLU . 41.0 mm-40 -61.86 -35.23 77.68 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 120.848 0.356 . . . . 0.0 110.943 178.332 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.0 tmmt? -68.28 -33.62 74.69 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.02 177.019 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.546 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 53.2 m170 -65.14 -49.25 70.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.378 0.609 . . . . 0.0 110.115 177.335 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.618 ' O ' ' HG3' ' A' ' 82' ' ' LYS . 51.5 mt -63.01 -38.66 82.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.395 -178.204 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -56.94 -39.84 75.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.47 179.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.567 ' HZ2' ' HA ' ' A' ' 93' ' ' PHE . 16.9 t-105 -64.69 -52.35 57.7 Favored 'General case' 0 N--CA 1.457 -0.119 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.462 175.654 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 60.2 m-70 -56.72 -33.04 66.11 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.481 0.548 . . . . 0.0 112.481 -175.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.618 ' HG3' ' O ' ' A' ' 78' ' ' ILE . 80.4 mttt -61.87 -48.36 80.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.26 0.552 . . . . 0.0 110.316 177.212 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.71 -31.8 67.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.46 -177.248 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.77 -52.1 66.86 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.398 -0.819 . . . . 0.0 112.751 -174.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 57.7 m -99.16 59.8 1.16 Allowed 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -173.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 57.4 mttp -69.81 -47.5 62.56 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 106.994 -1.484 . . . . 0.0 106.994 161.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -134.89 -71.48 0.48 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 113.735 -1.575 . . . . 0.0 107.874 168.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.427 ' HA3' ' HG3' ' A' ' 30' ' ' GLU . . . 169.56 131.42 1.31 Allowed Glycine 0 N--CA 1.444 -0.828 0 N-CA-C 110.599 -1.0 . . . . 0.0 110.599 178.09 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.466 ' HB3' ' HB2' ' A' ' 92' ' ' GLN . 18.3 m120 -110.61 9.05 23.01 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 117.151 0.475 . . . . 0.0 111.303 -178.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 45.59 -94.68 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 123.852 0.861 . . . . 0.0 113.246 176.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -65.73 -41.36 92.3 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.646 -174.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.466 ' HB2' ' HB3' ' A' ' 89' ' ' ASN . 62.4 mt-30 -63.04 -35.2 79.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.66 0.743 . . . . 0.0 109.73 -179.511 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.567 ' HA ' ' HZ2' ' A' ' 80' ' ' TRP . 71.2 t80 -71.42 -50.72 29.07 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.937 -1.028 . . . . 0.0 110.316 178.086 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.15 -44.33 92.1 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.765 -177.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 23.1 t -59.3 -44.36 92.53 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.953 0.406 . . . . 0.0 110.863 -179.294 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 8.5 mp -72.82 -32.12 65.28 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.516 179.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.496 HG22 ' O ' ' A' ' 93' ' ' PHE . 49.0 t -61.6 -37.42 77.87 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 175.056 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -58.27 -38.79 77.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.841 0.353 . . . . 0.0 110.764 175.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -67.97 -41.58 82.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.096 179.052 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.546 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 9.4 t-160 -60.35 -43.14 96.77 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.769 176.383 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.434 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 50.9 tp -58.85 -48.5 81.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.111 179.616 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.536 ' O ' ' HD3' ' A' ' 106' ' ' ARG . 32.1 mm-40 -65.32 -39.51 92.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.164 0.507 . . . . 0.0 110.463 178.638 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -57.52 -49.21 77.08 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.09 -0.959 . . . . 0.0 111.008 -178.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -68.2 -32.63 72.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.465 -177.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.46 ' O ' ' HG3' ' A' ' 109' ' ' GLU . 79.6 mt-30 -61.67 -41.65 97.84 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.395 178.75 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.536 ' HD3' ' O ' ' A' ' 102' ' ' GLN . 3.4 mpt_? -66.43 -32.51 73.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.475 178.65 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 41.1 m170 -63.46 -46.41 86.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.445 174.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.432 HG12 HD21 ' A' ' 8' ' ' LEU . 79.2 t -62.44 -41.74 92.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.783 178.3 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.46 ' HG3' ' O ' ' A' ' 105' ' ' GLN . 47.5 mt-10 -59.13 -33.4 70.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.567 178.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -69.34 -48.1 62.39 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.901 0.381 . . . . 0.0 110.597 177.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 47.5 mm -72.41 -47.93 49.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.641 -175.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.429 ' HB3' ' HB3' ' A' ' 115' ' ' ASN . 5.5 mm-40 -80.13 -39.33 29.69 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.537 -176.821 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 23.2 pttp 46.65 23.28 0.23 Allowed 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.601 1.16 . . . . 0.0 113.099 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.431 ' HD3' ' HA ' ' A' ' 114' ' ' LYS . 6.4 mmtt -178.16 39.87 0.0 OUTLIER 'General case' 0 C--O 1.234 0.257 0 C-N-CA 122.936 0.495 . . . . 0.0 110.355 177.125 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.429 ' HB3' ' HB3' ' A' ' 112' ' ' GLU . 39.9 t30 . . . . . 0 C--O 1.247 0.967 0 CA-C-O 118.958 -0.544 . . . . 0.0 110.115 -179.118 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.641 ' HA ' ' HE2' ' A' ' 113' ' ' LYS . 54.4 mtm . . . . . 0 N--CA 1.483 1.204 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -95.47 77.88 3.37 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.452 176.098 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -78.44 -67.53 0.73 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.692 -178.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.44 HD21 ' HA ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -135.22 113.13 11.02 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.981 -0.378 . . . . 0.0 109.981 -178.479 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 64.8 mtp85 -64.38 -44.83 90.12 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.92 -175.136 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -60.96 -35.08 75.82 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.714 -174.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 78.6 mt -64.92 -27.93 69.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.642 -178.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 84.3 mt -60.04 -36.69 77.85 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.998 0.428 . . . . 0.0 111.016 179.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.589 ' HA ' ' HE3' ' A' ' 9' ' ' LYS . 0.4 OUTLIER -61.76 -34.76 76.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.974 -0.557 . . . . 0.0 112.005 -174.543 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.77 -49.17 74.01 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 121.011 -0.276 . . . . 0.0 111.654 -174.203 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -70.31 -43.77 69.65 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.712 0.292 . . . . 0.0 110.711 178.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 73.4 mm-40 -58.57 -41.83 86.59 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.231 179.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.429 ' HB2' ' HE2' ' A' ' 9' ' ' LYS . 25.1 tt0 -69.4 -42.87 74.52 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.611 -178.44 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.551 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -58.88 -46.61 93.33 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.788 -0.72 . . . . 0.0 111.901 178.564 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.475 ' HA ' HD11 ' A' ' 18' ' ' LEU . 79.2 mt -60.93 -39.2 81.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.011 0.434 . . . . 0.0 110.871 177.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.7 tttm -64.93 -40.97 95.87 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.854 -177.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 65.3 mt -69.38 -36.46 72.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.528 178.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 97.0 mt -57.8 -36.98 72.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.979 178.27 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.464 ' HB3' ' HZ1' ' A' ' 19' ' ' LYS . 8.3 mtpm? -62.55 -37.26 85.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.156 179.615 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -66.55 -34.83 78.77 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.175 0.512 . . . . 0.0 110.334 179.031 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.483 HG21 HD11 ' A' ' 40' ' ' ILE . 58.8 t -64.35 -38.89 83.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.649 179.294 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 96.8 mt -61.13 -39.26 89.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.074 0.464 . . . . 0.0 110.589 177.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.5 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 92.7 mttt -65.59 -37.85 87.84 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.738 179.149 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 35.4 mmtm -83.15 -18.46 39.37 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.64 -177.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.44 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . . . -67.45 -39.38 85.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.833 178.454 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' A' ' 23' ' ' LYS . 65.2 pttt -71.96 -28.58 63.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.326 178.417 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -72.57 -33.38 66.73 Favored 'General case' 0 C--O 1.231 0.105 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 175.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 71.29 45.15 50.11 Favored Glycine 0 N--CA 1.448 -0.507 0 CA-C-N 115.771 -0.649 . . . . 0.0 113.614 171.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -126.42 130.18 50.2 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.013 174.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.534 ' HA ' ' HB2' ' A' ' 33' ' ' LEU . 42.1 tt0 -79.84 -18.95 49.53 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.798 -174.43 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -58.65 -48.3 81.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.021 0.438 . . . . 0.0 110.091 -178.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -72.93 -44.97 60.57 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.991 175.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.534 ' HB2' ' HA ' ' A' ' 30' ' ' GLU . 47.4 mt -57.19 -45.17 83.98 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.046 -0.524 . . . . 0.0 112.038 -176.102 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.53 -45.49 93.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.653 -0.249 . . . . 0.0 111.277 -177.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -66.44 -44.32 83.16 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.837 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.52 ' O ' HG13 ' A' ' 40' ' ' ILE . 92.3 mt -60.01 -42.3 94.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.187 177.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.413 ' O ' HG21 ' A' ' 41' ' ' VAL . 65.0 t30 -61.36 -40.77 95.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.059 177.573 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.828 ' HA ' HE21 ' A' ' 38' ' ' GLN . 0.0 OUTLIER -63.36 -38.77 92.43 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.444 178.23 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -65.04 -36.83 85.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.64 176.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.52 HG13 ' O ' ' A' ' 36' ' ' LEU . 82.1 mt -62.27 -47.31 93.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.474 177.362 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.413 HG21 ' O ' ' A' ' 37' ' ' ASN . 92.8 t -53.46 -53.09 26.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.327 179.194 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.423 ' HB3' ' HE2' ' A' ' 42' ' ' LYS . 48.2 mtpt -63.97 -39.44 94.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.771 -179.512 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.45 -46.5 79.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.359 -178.093 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.449 ' O ' HG21 ' A' ' 48' ' ' VAL . 36.4 mt-10 -69.69 -38.83 77.13 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.005 -178.308 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.445 ' HE2' HG23 ' A' ' 78' ' ' ILE . 59.2 mttm -66.12 -32.74 74.38 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 121.063 -0.255 . . . . 0.0 111.232 177.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 53.1 tp60 -63.61 -39.83 95.36 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 174.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.82 -44.99 93.93 Favored Glycine 0 N--CA 1.447 -0.596 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.398 174.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.449 HG21 ' O ' ' A' ' 44' ' ' GLU . 78.6 t -55.53 -39.86 56.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.708 0.29 . . . . 0.0 110.832 176.772 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.5 tmtt? -63.09 -49.52 74.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.674 -179.305 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 16.1 m -69.6 -32.69 53.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 C-N-CA 120.756 -0.378 . . . . 0.0 111.356 -179.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -67.56 -42.98 81.74 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.989 -0.284 . . . . 0.0 110.434 176.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.568 ' HA ' ' HE2' ' A' ' 52' ' ' LYS . 0.7 OUTLIER -59.55 -43.53 93.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.895 0.379 . . . . 0.0 111.105 176.393 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -67.04 -48.5 68.14 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.926 -178.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.0 -34.92 73.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.994 -176.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.58 -48.28 78.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.838 0.351 . . . . 0.0 111.498 -177.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -72.25 -21.94 61.31 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.124 -177.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -96.6 0.37 49.84 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.395 178.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.1 127.67 33.34 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.731 -179.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -78.4 -23.28 46.83 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.234 -179.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -105.36 117.79 57.39 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-O 120.804 0.335 . . . . 0.0 110.79 179.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -64.56 -34.68 51.57 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 123.211 2.607 . . . . 0.0 113.299 -178.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -60.66 -43.57 97.47 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.116 0.484 . . . . 0.0 110.048 -179.187 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 1.034 ' HA ' ' HE3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -71.18 -32.51 68.97 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.493 179.295 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -63.91 -40.31 96.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.615 178.109 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -39.33 84.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.517 178.43 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 85.9 t -62.95 -45.04 99.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.499 176.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 65.6 mt -65.33 -38.21 82.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.491 178.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -61.59 -40.3 94.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.719 177.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -59.44 -45.11 92.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.788 176.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.451 ' O ' ' HB2' ' A' ' 74' ' ' GLU . 69.9 mt -70.4 -41.74 78.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.52 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.417 HD21 ' HG2' ' A' ' 52' ' ' LYS . 1.4 tm? -55.76 -48.67 74.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.521 179.498 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.81 -40.98 97.92 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.545 -178.298 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.425 ' HB3' ' HE1' ' A' ' 107' ' ' HIS . 24.7 t0 -72.17 -42.89 65.36 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.118 -177.646 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.451 ' HB2' ' O ' ' A' ' 70' ' ' ILE . 1.7 tp10 -63.56 -41.31 98.41 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.636 -169.472 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.473 ' HA ' HD12 ' A' ' 78' ' ' ILE . 22.0 mm-40 -64.07 -35.48 80.89 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.877 0.37 . . . . 0.0 110.726 176.022 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -64.18 -33.11 75.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.372 179.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.584 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 64.6 m170 -62.31 -48.08 81.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.327 0.584 . . . . 0.0 110.134 176.353 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.473 HD12 ' HA ' ' A' ' 75' ' ' GLU . 52.7 mt -59.82 -48.85 86.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 114.802 -1.09 . . . . 0.0 110.701 -179.222 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -63.53 -32.97 74.59 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.61 177.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 4.3 t-105 -67.89 -49.06 64.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.505 -179.04 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -58.98 -36.74 75.37 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.686 177.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -69.3 -43.18 74.33 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.09 0.471 . . . . 0.0 110.49 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.63 -27.14 62.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.852 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.1 -22.76 42.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.975 -0.557 . . . . 0.0 112.275 -175.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 27.3 p -60.37 -25.78 66.13 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.956 -177.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -104.45 -3.97 23.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.563 0.22 . . . . 0.0 111.321 179.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 85.8 mm-40 -107.22 -46.5 3.87 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -170.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -121.31 138.56 12.57 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 119.713 -1.232 . . . . 0.0 114.291 -171.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.428 ' CG ' ' H ' ' A' ' 90' ' ' ALA . 55.2 t30 -77.43 -176.83 4.38 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 171.412 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.428 ' H ' ' CG ' ' A' ' 89' ' ' ASN . . . -45.5 -62.07 1.43 Allowed 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 -175.54 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -65.52 -37.09 85.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.983 0.421 . . . . 0.0 111.252 -177.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -68.1 -42.26 80.57 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.51 -178.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -61.92 -42.39 99.04 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.23 175.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.44 ' HB3' ' HB2' ' A' ' 25' ' ' ALA . . . -58.22 -36.95 73.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.549 175.372 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 37.6 m -65.06 -35.99 82.92 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.66 179.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 9.8 mp -67.72 -33.84 75.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.427 176.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 61.5 t -65.31 -39.63 85.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.02 175.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.438 ' HG3' ' O ' ' A' ' 94' ' ' ALA . 52.1 mt-30 -64.03 -36.13 83.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.95 0.405 . . . . 0.0 110.421 177.485 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -63.39 -41.85 98.78 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.04 174.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.584 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 3.1 t-160 -60.05 -42.26 94.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.223 177.475 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.492 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 3.0 mm? -57.56 -49.55 75.99 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.593 -179.747 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 86.9 mm-40 -64.28 -36.34 83.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.41 0.624 . . . . 0.0 110.501 -178.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -65.52 -47.24 76.64 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.794 -179.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.411 ' O ' HG22 ' A' ' 108' ' ' VAL . 14.5 mm-40 -70.95 -30.77 67.16 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.102 -178.576 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.564 ' O ' ' HG3' ' A' ' 109' ' ' GLU . 95.0 mt-30 -61.11 -36.28 79.3 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.971 0.415 . . . . 0.0 110.194 177.133 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 -67.5 -39.28 85.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.527 176.012 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.649 ' O ' HG13 ' A' ' 111' ' ' ILE . 54.6 m170 -61.29 -45.62 93.72 Favored 'General case' 0 CA--C 1.521 -0.136 0 CA-C-O 121.077 0.465 . . . . 0.0 110.159 174.551 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.411 HG22 ' O ' ' A' ' 104' ' ' GLU . 50.9 t -56.56 -39.4 62.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.643 179.661 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.564 ' HG3' ' O ' ' A' ' 105' ' ' GLN . 49.9 mt-10 -64.74 -35.17 80.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.916 0.389 . . . . 0.0 111.055 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.98 -37.74 75.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.812 176.416 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.649 HG13 ' O ' ' A' ' 107' ' ' HIS . 15.2 mt -82.52 -69.73 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.624 -175.747 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -104.36 67.93 0.86 Allowed 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 121.933 0.873 . . . . 0.0 111.503 -173.397 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.907 ' H ' ' HD3' ' A' ' 113' ' ' LYS . 0.0 OUTLIER -74.57 135.22 42.09 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.177 -0.92 . . . . 0.0 108.867 169.089 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.423 ' HB2' ' O ' ' A' ' 113' ' ' LYS . 29.3 mmmt 67.09 89.38 0.1 Allowed 'General case' 0 N--CA 1.464 0.266 0 O-C-N 123.782 0.676 . . . . 0.0 110.09 -171.198 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 . . . . . 0 C--O 1.249 1.054 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.002 -175.669 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ttt . . . . . 0 N--CA 1.48 1.047 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -141.32 -72.35 0.34 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.013 0.435 . . . . 0.0 110.447 -179.254 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -76.28 146.07 39.2 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.057 -178.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.0 mp -92.37 -28.57 16.82 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.48 -173.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 21.5 tpt180 -61.69 -35.83 79.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.127 0.489 . . . . 0.0 110.464 -178.056 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.505 ' CD ' ' HZ2' ' A' ' 9' ' ' LYS . 15.7 mm-40 -66.02 -37.2 85.28 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.52 177.76 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 49.2 mt -68.59 -42.46 78.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.645 -178.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.739 HD11 HG11 ' A' ' 108' ' ' VAL . 50.7 tp -60.29 -34.71 74.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.45 -177.635 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.505 ' HZ2' ' CD ' ' A' ' 6' ' ' GLU . 36.3 mtmm -64.11 -32.73 74.41 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.476 -178.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.46 -44.62 92.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.901 0.381 . . . . 0.0 110.832 178.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -64.59 -42.3 95.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.716 178.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 76.6 mm-40 -65.48 -36.73 84.73 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.113 178.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.47 ' O ' HG13 ' A' ' 17' ' ' ILE . 24.6 tp60 -61.93 -44.36 96.93 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 177.048 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.534 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -59.5 -46.22 94.29 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.645 -0.788 . . . . 0.0 111.919 176.095 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.428 HG21 HD12 ' A' ' 101' ' ' LEU . 85.9 mt -57.14 -44.94 84.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.907 0.384 . . . . 0.0 111.154 177.755 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -60.16 -44.91 94.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.712 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 13' ' ' GLN . 59.6 mt -68.95 -36.11 72.41 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.729 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.534 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 80.9 mt -57.32 -40.09 77.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.194 179.543 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -66.76 -35.21 79.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.231 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -72.68 -34.79 67.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.574 -0.284 . . . . 0.0 110.509 177.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.461 HG23 HD13 ' A' ' 40' ' ' ILE . 70.5 t -64.12 -40.83 90.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.608 176.262 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 87.3 mt -55.42 -39.11 69.83 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-O 121.057 0.456 . . . . 0.0 110.586 176.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.544 ' O ' ' HG3' ' A' ' 27' ' ' GLU . 95.6 mttt -66.95 -46.97 73.07 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.466 178.381 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.692 ' HE2' ' HG2' ' A' ' 32' ' ' GLU . 38.2 mmtm -68.98 -31.79 70.89 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.349 -0.387 . . . . 0.0 112.015 -177.111 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.66 -35.34 72.8 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.036 0.446 . . . . 0.0 110.217 175.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -70.76 -38.16 73.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.648 176.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.544 ' HG3' ' O ' ' A' ' 23' ' ' LYS . 43.8 mt-10 -69.46 -37.96 77.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.728 177.618 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 88.22 30.73 15.93 Favored Glycine 0 N--CA 1.445 -0.7 0 C-N-CA 121.062 -0.59 . . . . 0.0 112.084 179.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.691 ' O ' ' HB2' ' A' ' 33' ' ' LEU . 20.1 t70 -100.55 109.24 21.32 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 179.617 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -77.69 -20.78 53.05 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.512 -174.017 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -69.81 -50.64 40.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.646 0.26 . . . . 0.0 110.999 -176.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.692 ' HG2' ' HE2' ' A' ' 24' ' ' LYS . 5.6 tp10 -73.97 -38.49 64.16 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.985 0.421 . . . . 0.0 109.884 176.567 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.691 ' HB2' ' O ' ' A' ' 29' ' ' ASP . 0.8 OUTLIER -58.75 -46.23 87.91 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.996 -176.278 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.23 -45.08 93.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.788 0.328 . . . . 0.0 110.528 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -59.07 -47.93 83.44 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.033 177.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.484 ' O ' HG13 ' A' ' 40' ' ' ILE . 81.0 mt -63.04 -44.56 95.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.559 178.579 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -56.45 -46.66 80.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.123 176.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.556 ' HA ' ' OE1' ' A' ' 38' ' ' GLN . 7.4 mm-40 -59.8 -44.84 93.76 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 115.296 -0.865 . . . . 0.0 111.423 178.035 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -64.67 -35.08 79.89 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.404 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.484 HG13 ' O ' ' A' ' 36' ' ' LEU . 63.6 mt -62.65 -49.55 83.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.619 0.247 . . . . 0.0 110.476 177.523 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.608 HG13 HG21 ' A' ' 78' ' ' ILE . 84.4 t -54.63 -44.78 71.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.997 0.427 . . . . 0.0 110.676 178.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.6 mtpm? -63.42 -40.53 97.42 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.352 179.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.55 -46.3 66.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.181 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.46 ' O ' HG21 ' A' ' 48' ' ' VAL . 5.3 mm-40 -57.74 -47.08 83.46 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.761 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.472 ' HE2' HG23 ' A' ' 78' ' ' ILE . 56.6 mttm -69.97 -32.35 70.53 Favored 'General case' 0 CA--C 1.52 -0.197 0 N-CA-C 111.968 0.359 . . . . 0.0 111.968 -179.015 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 48.2 tp60 -64.61 -38.39 90.84 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 175.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -65.3 -47.06 83.91 Favored Glycine 0 N--CA 1.447 -0.608 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.448 174.042 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.46 HG21 ' O ' ' A' ' 44' ' ' GLU . 73.6 t -54.12 -41.85 52.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.008 0.432 . . . . 0.0 110.358 176.56 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -59.15 -51.49 69.78 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.326 -178.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 8.0 m -71.9 -32.0 42.84 Favored 'Isoleucine or valine' 0 C--O 1.237 0.418 0 N-CA-C 112.254 0.465 . . . . 0.0 112.254 -178.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -69.84 -51.23 35.27 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.498 0.19 . . . . 0.0 111.099 177.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -57.67 -36.56 72.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.158 -0.473 . . . . 0.0 109.999 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -56.9 -49.27 76.09 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.481 176.323 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.84 -35.62 64.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.883 -178.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.06 -46.12 79.05 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -173.055 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -81.27 -4.28 55.08 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.735 0.303 . . . . 0.0 111.595 -175.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 39.0 mtmt -118.32 17.92 13.78 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.135 0.493 . . . . 0.0 110.603 177.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -84.06 130.95 34.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.488 177.192 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 60.9 mtt180 -98.67 22.65 9.69 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.411 -176.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.403 ' O ' ' HB2' ' A' ' 64' ' ' ARG . 26.0 t-20 -141.18 118.06 7.6 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.197 176.735 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -63.35 -32.55 72.15 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.99 2.46 . . . . 0.0 113.343 -175.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -66.38 -43.88 84.67 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.104 0.478 . . . . 0.0 110.466 -176.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.403 ' O ' HG13 ' A' ' 67' ' ' ILE . 62.9 mttm -75.81 -33.71 60.13 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.215 176.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.403 ' HB2' ' O ' ' A' ' 60' ' ' ASN . 2.1 tmt_? -59.24 -43.42 92.4 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.359 -178.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -63.58 -42.18 98.32 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.028 179.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 91.8 t -59.52 -49.02 85.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.751 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 63' ' ' LYS . 63.1 mt -60.33 -40.9 85.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.973 -179.087 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -65.79 -44.24 86.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.662 -0.245 . . . . 0.0 111.327 -178.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -59.55 -44.64 93.19 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.715 0.293 . . . . 0.0 110.906 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.48 HG21 ' ND1' ' A' ' 107' ' ' HIS . 38.5 mt -68.74 -38.02 78.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.048 178.102 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.98 -49.47 73.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.35 179.129 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -67.59 -35.43 78.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.612 179.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.451 ' HB3' ' CE1' ' A' ' 107' ' ' HIS . 0.4 OUTLIER -63.26 -43.8 96.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.286 0.565 . . . . 0.0 110.296 178.593 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -62.49 -41.58 98.89 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.133 -0.939 . . . . 0.0 110.903 -174.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.55 ' HA ' HD12 ' A' ' 78' ' ' ILE . 55.7 mm-40 -66.73 -34.86 78.77 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.878 0.37 . . . . 0.0 110.888 174.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -60.63 -35.78 77.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.415 178.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.503 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 44.4 m170 -63.35 -47.92 80.14 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.752 0.786 . . . . 0.0 109.735 177.103 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.608 HG21 HG13 ' A' ' 41' ' ' VAL . 63.7 mt -60.19 -38.04 75.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 114.394 -1.276 . . . . 0.0 111.116 -178.711 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -55.79 -40.11 72.21 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.805 177.239 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.427 ' CZ2' HD23 ' A' ' 96' ' ' LEU . 19.3 t-105 -70.13 -54.86 11.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.921 177.534 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 49.8 m-70 -56.29 -41.28 75.64 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 111.793 0.294 . . . . 0.0 111.793 -177.245 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 46.6 tttm -63.99 -40.2 95.84 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.987 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -73.39 -33.34 64.96 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 178.338 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.05 -19.91 58.21 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 -169.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.4 p -79.01 84.17 5.04 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.372 0.606 . . . . 0.0 111.912 -176.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -144.51 153.65 42.07 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.989 176.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 7.3 mp0 -66.03 122.12 16.67 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.911 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 109.75 8.84 25.73 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 121.018 -0.61 . . . . 0.0 112.621 179.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -119.9 117.75 28.94 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.672 0.272 . . . . 0.0 110.499 179.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -155.72 -53.37 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.315 0.578 . . . . 0.0 110.071 177.366 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.421 ' CD ' ' H ' ' A' ' 92' ' ' GLN . 0.0 OUTLIER -62.06 -46.7 87.95 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.512 -179.893 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.421 ' H ' ' CD ' ' A' ' 91' ' ' GLU . 5.2 tp-100 -67.47 -45.68 75.23 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.388 0.613 . . . . 0.0 110.053 178.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.63 ' O ' HG21 ' A' ' 97' ' ' VAL . 51.5 t80 -57.07 -43.62 82.25 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.02 -0.991 . . . . 0.0 111.332 -177.58 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.64 -45.55 81.53 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 -175.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.581 ' O ' ' HG2' ' A' ' 98' ' ' GLN . 39.0 m -65.0 -35.92 82.74 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.426 -178.014 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.427 HD23 ' CZ2' ' A' ' 80' ' ' TRP . 10.7 mp -74.66 -32.63 62.31 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -179.122 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.63 HG21 ' O ' ' A' ' 93' ' ' PHE . 84.2 t -61.5 -35.07 64.49 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -175.174 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.581 ' HG2' ' O ' ' A' ' 95' ' ' SER . 3.9 pt20 -56.78 -32.06 65.26 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 116.773 -0.194 . . . . 0.0 111.295 -176.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -67.53 -41.34 84.51 Favored 'General case' 0 C--O 1.226 -0.176 0 CA-C-N 116.879 -0.146 . . . . 0.0 111.07 178.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.503 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 9.8 t-160 -61.45 -38.8 88.51 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 177.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.541 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 46.7 tp -58.86 -48.77 80.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.828 178.336 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -68.93 -37.06 78.66 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 121.084 0.468 . . . . 0.0 111.036 178.192 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -59.25 -49.29 78.4 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.51 -177.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.513 ' O ' HG23 ' A' ' 108' ' ' VAL . 20.8 mm-40 -66.44 -29.59 69.76 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.998 -0.281 . . . . 0.0 110.638 -178.228 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.541 ' HG3' ' O ' ' A' ' 101' ' ' LEU . 77.2 mt-30 -63.54 -36.49 83.95 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 174.613 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 27.8 mmt180 -72.76 -32.79 65.9 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.34 176.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.48 ' ND1' HG21 ' A' ' 70' ' ' ILE . 15.2 m170 -59.95 -44.93 94.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.442 0.639 . . . . 0.0 109.544 171.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.739 HG11 HD11 ' A' ' 8' ' ' LEU . 87.0 t -62.92 -36.56 76.17 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.322 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.054 176.734 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.507 ' HG2' ' O ' ' A' ' 105' ' ' GLN . 19.0 mm-40 -56.18 -35.06 66.82 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.081 0.467 . . . . 0.0 111.306 179.104 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.439 ' O ' ' HE2' ' A' ' 113' ' ' LYS . 65.8 mm-40 -71.61 -35.14 70.38 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.337 178.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 25.8 mt -86.08 -48.94 15.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.153 0.501 . . . . 0.0 111.069 -176.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.542 ' HA ' ' ND2' ' A' ' 115' ' ' ASN . 53.3 tp10 -81.26 46.07 0.9 Allowed 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.865 -176.075 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.439 ' HE2' ' O ' ' A' ' 110' ' ' GLU . 64.7 mttm -80.71 -48.22 12.86 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 173.349 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 50.8 mtpt -140.99 90.38 2.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.746 177.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.542 ' ND2' ' HA ' ' A' ' 112' ' ' GLU . 92.5 m-20 . . . . . 0 C--O 1.246 0.874 0 CA-C-O 118.064 -0.969 . . . . 0.0 109.659 179.131 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.739 ' HG2' ' H ' ' A' ' 2' ' ' ASP . 15.4 ttt . . . . . 0 N--CA 1.481 1.095 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.739 ' H ' ' HG2' ' A' ' 1' ' ' MET . 6.6 t0 -71.74 80.08 0.85 Allowed 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.086 0.47 . . . . 0.0 109.808 177.644 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.74 ' HG3' ' HB2' ' A' ' 5' ' ' ARG . 11.0 pt-20 -149.81 -20.64 0.26 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.694 -174.503 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 88.9 mt 61.32 32.34 19.21 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 121.503 0.668 . . . . 0.0 110.118 -178.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.74 ' HB2' ' HG3' ' A' ' 3' ' ' GLU . 17.7 ttt85 -59.54 -40.52 87.47 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.744 -1.116 . . . . 0.0 111.419 -174.502 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -62.26 -43.23 99.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.404 -177.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 89.8 mt -71.69 -42.95 66.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.178 -178.206 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.829 HD22 HG22 ' A' ' 111' ' ' ILE . 80.1 mt -66.3 -31.94 73.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.233 -176.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -60.13 -34.75 73.95 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.706 -178.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.467 ' HB1' ' HA2' ' A' ' 47' ' ' GLY . . . -71.92 -46.94 55.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.559 -178.14 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -63.09 -39.02 93.46 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.158 0.504 . . . . 0.0 109.701 177.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 77.1 mm-40 -65.41 -33.19 75.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.494 177.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 59.2 tp60 -64.27 -46.5 83.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.301 -179.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.538 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -59.4 -45.83 94.86 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.747 -0.739 . . . . 0.0 111.897 177.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.44 ' HA ' HD12 ' A' ' 18' ' ' LEU . 79.9 mt -58.37 -41.15 80.65 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-O 120.733 0.301 . . . . 0.0 110.961 178.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.523 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 57.5 tttm -64.65 -47.07 79.86 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 121.029 -0.269 . . . . 0.0 110.56 179.665 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.515 ' O ' HG23 ' A' ' 21' ' ' VAL . 65.7 mt -62.94 -34.17 64.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.558 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 83.6 mt -57.42 -42.64 82.77 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.03 0.443 . . . . 0.0 110.42 174.764 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.567 ' HZ3' ' HB3' ' A' ' 19' ' ' LYS . 8.7 mtpm? -67.02 -38.45 85.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.867 178.377 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.523 ' HG2' ' O ' ' A' ' 16' ' ' LYS . 53.8 mm-40 -62.82 -43.26 99.28 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 121.134 0.492 . . . . 0.0 109.859 178.201 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 17' ' ' ILE . 88.7 t -62.38 -40.79 89.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.122 -179.649 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.535 HD23 ' HB ' ' A' ' 97' ' ' VAL . 82.8 mt -55.11 -40.44 70.48 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.147 0.499 . . . . 0.0 111.144 179.528 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -66.87 -45.07 79.26 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.845 -178.224 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.406 ' HZ2' ' CD ' ' A' ' 27' ' ' GLU . 18.3 tppt? -77.41 -28.44 52.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.934 0.397 . . . . 0.0 111.246 -178.365 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.73 -32.03 73.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.517 178.051 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -71.5 -32.0 67.73 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 176.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.406 ' CD ' ' HZ2' ' A' ' 24' ' ' LYS . 46.9 mt-10 -65.65 -42.81 90.99 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.929 174.215 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 84.36 42.13 7.59 Favored Glycine 0 N--CA 1.449 -0.478 0 CA-C-N 115.735 -0.666 . . . . 0.0 112.636 176.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -91.75 111.21 22.64 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.021 -0.362 . . . . 0.0 110.021 178.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -61.7 -39.52 91.77 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.689 -177.179 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -68.95 -48.16 63.9 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.026 -173.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.456 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 42.2 mt-10 -71.55 -37.69 71.08 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.045 178.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.428 HD21 HD13 ' A' ' 36' ' ' LEU . 7.1 mt -58.78 -36.41 74.36 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 111.613 0.227 . . . . 0.0 111.613 179.183 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.91 -42.24 98.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.166 0.508 . . . . 0.0 110.387 177.245 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 23.0 ttm180 -71.29 -35.35 71.28 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.428 177.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 32' ' ' GLU . 81.1 mt -62.72 -39.83 95.26 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.64 -0.254 . . . . 0.0 110.827 176.361 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.437 ' O ' HG23 ' A' ' 41' ' ' VAL . 3.5 t-20 -57.43 -45.28 84.85 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 174.254 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.436 ' HA ' ' OE1' ' A' ' 38' ' ' GLN . 14.4 mm-40 -62.85 -44.6 95.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.991 176.175 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -61.71 -42.98 99.67 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.205 -177.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.425 HG13 ' O ' ' A' ' 36' ' ' LEU . 65.8 mt -59.62 -45.14 94.47 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-O 120.634 0.254 . . . . 0.0 110.468 179.029 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 37' ' ' ASN . 84.8 t -59.2 -46.33 92.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.268 179.129 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -64.11 -36.71 84.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.505 178.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.26 -48.2 57.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.323 -177.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.612 ' O ' HG22 ' A' ' 48' ' ' VAL . 7.8 mm-40 -62.83 -44.7 95.44 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.097 -0.502 . . . . 0.0 109.974 179.537 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.461 ' HD3' ' HA ' ' A' ' 45' ' ' LYS . 55.9 mmtt -60.28 -33.94 73.05 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.822 178.412 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 50.1 tp60 -60.75 -43.6 97.76 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 177.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.467 ' HA2' ' HB1' ' A' ' 10' ' ' ALA . . . -70.15 -46.39 50.91 Favored Glycine 0 N--CA 1.448 -0.553 0 CA-C-N 115.483 -0.78 . . . . 0.0 112.646 177.211 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.612 HG22 ' O ' ' A' ' 44' ' ' GLU . 48.7 t -59.53 -41.92 86.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 122.874 -0.192 . . . . 0.0 111.447 -176.812 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 48.7 tttp -56.64 -49.57 74.63 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.29 -176.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 24.3 m -70.65 -35.04 59.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -69.37 -36.68 77.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.506 0.193 . . . . 0.0 111.0 177.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -56.62 -43.17 79.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.712 0.291 . . . . 0.0 110.81 176.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -68.57 -45.99 70.62 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.469 176.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.7 -33.03 74.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.525 -0.761 . . . . 0.0 112.494 -174.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.53 -42.5 78.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.025 0.441 . . . . 0.0 111.728 -177.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -99.36 14.39 29.85 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.976 -178.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -127.78 15.65 6.94 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 174.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.52 141.92 53.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.921 -1.036 . . . . 0.0 111.467 -177.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 83.2 mtm180 -79.85 -25.29 40.8 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.897 -178.123 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.517 ' HB2' ' HG2' ' A' ' 63' ' ' LYS . 16.1 m120 -128.43 135.25 27.27 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.369 -177.228 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -57.7 -38.26 93.82 Favored 'Trans proline' 0 CA--C 1.53 0.306 0 C-N-CA 122.79 2.327 . . . . 0.0 112.611 178.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -64.49 -35.94 82.57 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 121.021 0.439 . . . . 0.0 110.6 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.517 ' HG2' ' HB2' ' A' ' 60' ' ' ASN . 72.8 mmtt -71.27 -33.73 70.03 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.406 -178.625 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 23.5 ttt180 -64.27 -39.32 93.69 Favored 'General case' 0 C--O 1.227 -0.12 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 175.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -55.44 -44.06 75.96 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.146 177.1 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 87.7 t -65.28 -50.89 70.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.875 177.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 63' ' ' LYS . 76.2 mt -60.64 -43.74 95.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.234 -177.541 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -66.4 -39.86 89.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.753 0.311 . . . . 0.0 110.684 -178.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -59.89 -42.45 93.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.219 0.533 . . . . 0.0 109.601 177.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 45.6 mt -70.61 -38.08 72.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.832 176.106 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 16.2 mt -55.6 -39.58 70.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.854 0.359 . . . . 0.0 111.53 176.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -68.42 -41.19 80.73 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.826 174.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.411 ' HB3' ' CE1' ' A' ' 107' ' ' HIS . 0.2 OUTLIER -71.81 -47.38 53.68 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.635 -0.711 . . . . 0.0 112.216 -174.74 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.539 ' HB3' HG23 ' A' ' 48' ' ' VAL . 1.2 tp10 -60.93 -36.84 80.38 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.952 -172.349 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.593 ' OE2' HG13 ' A' ' 48' ' ' VAL . 65.3 mm-40 -69.45 -41.49 76.18 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.275 0.559 . . . . 0.0 110.388 173.212 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -59.72 -34.33 72.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.681 179.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.577 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 62.5 m170 -64.13 -47.89 78.21 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.485 177.321 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.412 HG13 ' O ' ' A' ' 74' ' ' GLU . 62.9 mt -58.59 -49.75 81.37 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.78 -178.088 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -63.79 -34.2 77.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.806 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 30.6 t-105 -61.13 -56.56 19.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.561 179.126 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.434 ' HE1' HG23 ' A' ' 97' ' ' VAL . 50.1 m-70 -60.08 -46.4 89.72 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -179.292 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.443 ' HA ' ' HD2' ' A' ' 82' ' ' LYS . 39.3 tptt -62.83 -44.01 97.27 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.769 -0.372 . . . . 0.0 111.133 -174.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.34 -36.07 82.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.893 0.378 . . . . 0.0 111.307 -178.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.15 -24.26 57.93 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.019 0.438 . . . . 0.0 111.311 -179.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 19.3 m -90.41 23.4 2.98 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.931 -177.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -71.98 -17.21 62.07 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.214 -178.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -117.43 -41.92 2.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.006 177.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 104.72 97.18 2.46 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.426 -0.892 . . . . 0.0 113.075 175.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -122.25 167.87 12.71 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 178.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -111.02 -74.36 0.65 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.836 0.351 . . . . 0.0 111.365 -178.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -69.41 -40.06 77.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.883 0.373 . . . . 0.0 111.02 -175.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -64.34 -34.83 79.05 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.234 0.54 . . . . 0.0 109.933 178.099 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -67.98 -38.68 83.01 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.221 176.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.24 -33.42 75.78 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.073 178.192 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 21.5 t -63.64 -33.08 74.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.36 178.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 9.8 mp -69.95 -35.05 74.2 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.543 177.14 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.535 ' HB ' HD23 ' A' ' 22' ' ' LEU . 39.9 t -65.24 -34.54 71.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.229 178.039 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -56.4 -45.1 80.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.07 179.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -67.89 -37.73 82.12 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.057 0.456 . . . . 0.0 110.256 178.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.577 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 3.9 t-160 -60.15 -43.09 96.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.861 177.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.497 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 51.7 tp -62.93 -48.32 79.44 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.937 -179.528 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -58.52 -38.96 78.81 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 121.449 0.642 . . . . 0.0 110.039 177.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -65.19 -49.39 69.94 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.814 -1.085 . . . . 0.0 111.85 -178.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.423 ' O ' HG23 ' A' ' 108' ' ' VAL . 27.2 mm-40 -65.44 -26.59 68.03 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.585 0.231 . . . . 0.0 110.712 -177.709 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.497 ' HG3' ' O ' ' A' ' 101' ' ' LEU . 80.8 mt-30 -61.53 -41.03 96.73 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.219 175.449 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 64.0 mtt180 -72.55 -29.72 63.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.942 176.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.528 ' O ' HG12 ' A' ' 111' ' ' ILE . 14.7 m170 -57.26 -45.38 84.08 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 173.265 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 104' ' ' GLU . 28.1 t -68.83 -35.77 71.05 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.141 176.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -55.75 -45.94 77.96 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 111.868 0.321 . . . . 0.0 111.868 -177.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.57 -28.87 67.34 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.343 179.567 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.829 HG22 HD22 ' A' ' 8' ' ' LEU . 36.0 mm -64.22 -65.94 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.773 0.32 . . . . 0.0 110.79 179.426 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -112.33 -113.58 0.33 Allowed 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.184 -176.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -151.11 98.13 2.53 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.641 -177.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp 46.73 84.02 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.505 0.722 . . . . 0.0 112.872 177.001 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.401 ' HB2' ' CG1' ' A' ' 108' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--O 1.25 1.119 0 CA-C-O 118.468 -0.777 . . . . 0.0 109.622 176.19 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.48 1.031 0 CA-C-O 120.931 0.396 . . . . 0.0 110.104 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.824 ' HB3' ' HB3' ' A' ' 5' ' ' ARG . 8.3 t70 -134.02 138.53 45.44 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.548 -179.489 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.44 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 4.0 mp0 -54.5 -35.84 63.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 112.19 -176.215 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.509 ' O ' ' HG ' ' A' ' 8' ' ' LEU . 3.5 mm? -96.26 -37.2 10.63 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.582 0.229 . . . . 0.0 110.756 -176.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.824 ' HB3' ' HB3' ' A' ' 2' ' ' ASP . 2.7 tmt_? -58.84 -44.69 91.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.219 -178.666 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.0 -35.42 78.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.744 0.307 . . . . 0.0 111.062 178.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 3' ' ' GLU . 89.8 mt -65.26 -34.43 78.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.94 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 4' ' ' LEU . 88.4 mt -59.2 -30.68 68.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.936 -173.341 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 35.9 mtmt -59.45 -36.44 75.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.723 0.297 . . . . 0.0 110.898 -178.29 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.73 -46.3 66.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 -177.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -66.38 -41.49 89.32 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.123 179.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 79.5 mm-40 -64.78 -35.75 82.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.104 177.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.3 tp60 -60.31 -46.44 89.85 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.597 178.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.644 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -60.05 -46.71 93.7 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.752 -0.737 . . . . 0.0 111.745 177.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.462 ' HA ' HD11 ' A' ' 18' ' ' LEU . 75.1 mt -57.7 -43.88 84.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.689 0.28 . . . . 0.0 111.1 178.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.437 ' C ' ' HD3' ' A' ' 16' ' ' LYS . 0.8 OUTLIER -59.55 -46.45 88.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.39 179.895 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.45 ' O ' HG23 ' A' ' 21' ' ' VAL . 72.1 mt -61.77 -41.46 90.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.556 178.546 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.644 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 94.3 mt -57.65 -37.28 73.1 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.175 179.407 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.421 ' HG3' ' O ' ' A' ' 15' ' ' ILE . 30.2 mtpp -64.17 -41.93 96.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.2 179.238 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -66.45 -34.53 78.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.733 -177.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 17' ' ' ILE . 60.2 t -60.94 -39.45 82.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.98 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 99.0 mt -59.43 -35.47 74.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.59 178.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 80.7 mttt -72.21 -42.73 65.43 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.335 179.116 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -67.98 -21.13 65.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.469 -178.018 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.61 -42.66 93.16 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.351 179.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 59.8 mttm -73.23 -26.69 61.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.864 179.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -69.07 -41.63 77.31 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 174.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.36 19.29 78.43 Favored Glycine 0 N--CA 1.45 -0.406 0 CA-C-N 115.815 -0.63 . . . . 0.0 113.119 173.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -90.34 118.22 29.67 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.969 0.414 . . . . 0.0 110.844 -178.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -57.29 -42.49 81.79 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.689 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.499 ' O ' ' HB2' ' A' ' 35' ' ' ARG . 80.4 mt-30 -64.52 -44.87 89.51 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-O 120.504 0.193 . . . . 0.0 110.874 -173.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -62.98 -47.86 81.32 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.092 0.473 . . . . 0.0 110.622 175.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.499 HD21 ' CE2' ' A' ' 93' ' ' PHE . 19.0 mt -65.61 -45.78 81.83 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.492 -0.777 . . . . 0.0 112.295 -175.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.3 -34.61 77.73 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.905 0.383 . . . . 0.0 110.594 179.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.499 ' HB2' ' O ' ' A' ' 31' ' ' GLN . 33.8 ttt180 -65.04 -43.85 91.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.89 177.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.486 ' O ' HG13 ' A' ' 40' ' ' ILE . 41.8 mt -65.79 -39.19 90.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.86 177.14 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -61.03 -39.98 91.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 0.0 109.837 176.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -63.13 -42.18 99.45 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.56 175.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.451 ' HA ' ' HE3' ' A' ' 42' ' ' LYS . 69.1 mm-40 -58.95 -45.16 91.16 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.769 178.309 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.486 HG13 ' O ' ' A' ' 36' ' ' LEU . 81.4 mt -56.85 -49.12 79.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.196 -179.147 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.52 HG12 HG22 ' A' ' 78' ' ' ILE . 95.2 t -58.64 -56.51 16.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.645 -175.417 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.451 ' HE3' ' HA ' ' A' ' 39' ' ' GLU . 14.9 pttp -66.69 -35.88 81.2 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -178.477 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.38 -46.99 74.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.547 0.213 . . . . 0.0 111.222 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.401 ' O ' HG23 ' A' ' 48' ' ' VAL . 7.9 mt-10 -68.64 -35.16 76.91 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.726 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.545 ' HE2' HG21 ' A' ' 78' ' ' ILE . 57.3 mmtt -59.09 -44.05 91.87 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.802 0.334 . . . . 0.0 110.572 175.009 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.462 ' O ' HG21 ' A' ' 50' ' ' VAL . 54.6 tp60 -61.89 -41.15 97.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.809 176.737 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.83 -47.55 90.43 Favored Glycine 0 N--CA 1.448 -0.551 0 CA-C-N 115.771 -0.65 . . . . 0.0 112.727 178.396 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 44' ' ' GLU . 78.2 t -60.81 -40.33 84.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.778 0.323 . . . . 0.0 110.33 178.716 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 56.5 tttm -56.29 -49.85 73.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.106 178.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.462 HG21 ' O ' ' A' ' 46' ' ' GLN . 21.2 t -70.86 -46.14 69.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.116 -178.329 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -59.02 -45.45 90.67 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.442 -179.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.424 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 81.4 tttt -64.52 -35.27 80.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.688 -176.308 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -64.41 -47.63 78.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.447 179.049 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.98 -33.92 74.46 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.195 -178.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.33 -47.11 86.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.53 -179.116 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.424 ' HG2' ' O ' ' A' ' 52' ' ' LYS . 9.7 pt-20 -82.46 -2.49 53.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.696 0.284 . . . . 0.0 111.724 -177.523 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -102.62 -5.57 23.72 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.874 0.368 . . . . 0.0 110.392 174.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -81.88 175.47 10.38 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.024 -178.018 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 56.7 mtm180 -110.03 141.01 43.44 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.888 -177.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 61.8 t30 71.07 112.84 0.03 OUTLIER Pre-proline 0 N--CA 1.466 0.364 0 O-C-N 124.326 1.017 . . . . 0.0 110.633 -176.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_endo -55.6 -21.38 31.05 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 123.746 2.964 . . . . 0.0 113.189 -175.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.473 ' O ' HG21 ' A' ' 66' ' ' VAL . 40.5 mt-10 -66.04 -40.68 91.2 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.699 0.285 . . . . 0.0 110.459 177.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -70.34 -34.6 72.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.206 0.526 . . . . 0.0 109.709 176.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -60.9 -43.19 98.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.232 173.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.539 ' HA ' ' HB3' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -63.19 -35.73 81.28 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.041 -179.08 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.473 HG21 ' O ' ' A' ' 62' ' ' GLU . 93.1 t -59.12 -47.75 89.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.114 0.483 . . . . 0.0 109.985 178.418 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.43 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 59.2 mt -69.32 -39.14 78.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.281 176.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.539 ' HB3' ' HA ' ' A' ' 65' ' ' GLN . 19.0 t70 -56.34 -37.63 70.25 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.634 177.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 22.8 mtpp -58.97 -45.61 90.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.043 0.449 . . . . 0.0 110.562 176.477 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.406 ' O ' ' HB2' ' A' ' 74' ' ' GLU . 37.4 mt -71.05 -38.21 70.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.366 177.235 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.464 HD12 ' HA ' ' A' ' 68' ' ' ASP . 68.1 mt -55.94 -43.22 77.23 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.068 0.461 . . . . 0.0 110.993 175.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -70.05 -46.81 64.2 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.138 178.084 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -62.06 -46.64 88.23 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.718 -178.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.406 ' HB2' ' O ' ' A' ' 70' ' ' ILE . 4.5 tp10 -63.58 -36.99 85.62 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.9 -173.184 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -62.57 -37.67 87.08 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 120.974 0.416 . . . . 0.0 110.84 176.015 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -60.68 -34.19 73.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.632 -179.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.561 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 60.0 m170 -63.92 -49.11 73.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.455 0.645 . . . . 0.0 110.062 177.004 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.545 HG21 ' HE2' ' A' ' 45' ' ' LYS . 45.4 mt -63.74 -45.93 95.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 114.767 -1.106 . . . . 0.0 110.716 -176.642 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -56.73 -34.39 67.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.065 178.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.419 ' HE1' ' HG ' ' A' ' 96' ' ' LEU . 22.7 t-105 -71.32 -57.64 4.27 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.569 178.703 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -62.14 -32.41 73.01 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 112.084 0.401 . . . . 0.0 112.084 -177.197 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 53.8 tttm -67.55 -46.68 72.02 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.01 0.433 . . . . 0.0 110.673 179.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.98 -38.87 69.62 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.666 179.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.06 -17.08 59.79 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.16 -0.473 . . . . 0.0 112.24 -174.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.0 t -63.4 106.02 0.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.948 0.404 . . . . 0.0 110.524 -178.136 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -142.44 -154.69 0.54 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.394 -178.339 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 24.3 mp0 -83.17 140.06 32.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.02 177.14 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 83.4 -96.86 1.96 Allowed Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 121.002 -0.618 . . . . 0.0 111.824 -178.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 55.38 67.3 1.03 Allowed 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 122.731 0.413 . . . . 0.0 111.288 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -119.35 -76.03 0.58 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 111.932 0.345 . . . . 0.0 111.932 -178.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -65.38 -48.79 71.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.784 -172.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 -68.69 -40.78 79.87 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.201 0.524 . . . . 0.0 110.559 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.499 ' CE2' HD21 ' A' ' 33' ' ' LEU . 19.5 t80 -62.26 -40.2 95.41 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.825 -178.563 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.69 -28.81 70.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.966 179.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 11.9 m -77.06 -45.17 28.02 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.971 0.415 . . . . 0.0 110.431 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.419 ' HG ' ' HE1' ' A' ' 80' ' ' TRP . 4.2 mm? -69.7 -38.48 76.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.773 -177.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 10.7 p -63.32 -34.35 66.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.715 0.293 . . . . 0.0 110.991 -179.153 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -65.65 -36.87 84.93 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 179.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 73.0 mm-40 -65.81 -39.16 90.63 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.777 177.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.561 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 4.7 t-160 -57.94 -43.17 86.2 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.535 176.696 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 52.3 tp -59.66 -46.41 89.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.989 178.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -63.91 -37.85 88.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -61.29 -49.17 78.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.979 179.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 100' ' ' HIS . 23.8 mm-40 -65.23 -26.79 68.27 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.053 -176.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -65.28 -33.48 76.09 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.648 177.456 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.499 ' HA ' ' HG2' ' A' ' 109' ' ' GLU . 23.5 ttt85 -72.57 -32.79 66.31 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 174.407 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.573 ' O ' HG12 ' A' ' 111' ' ' ILE . 17.8 m170 -58.48 -41.76 86.0 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 178.359 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 91.8 t -58.27 -50.59 77.93 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.052 178.268 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.662 ' HB2' ' HD3' ' A' ' 113' ' ' LYS . 6.3 pt-20 -68.38 -34.65 76.43 Favored 'General case' 0 C--O 1.224 -0.251 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.978 -177.198 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -68.46 -29.8 68.51 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.311 -0.556 . . . . 0.0 110.464 177.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.573 HG12 ' O ' ' A' ' 107' ' ' HIS . 31.9 mm -66.12 -64.91 0.64 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.893 174.143 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.452 ' O ' ' HB2' ' A' ' 113' ' ' LYS . 11.1 pt-20 -126.17 -19.36 4.75 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 112.943 0.72 . . . . 0.0 112.943 -172.11 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.662 ' HD3' ' HB2' ' A' ' 109' ' ' GLU . 19.8 mmtm 69.84 151.62 0.09 Allowed 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.13 0.572 . . . . 0.0 111.56 -172.624 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 67.5 mttm 64.68 -89.53 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.809 178.083 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 . . . . . 0 C--O 1.251 1.18 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.376 -173.991 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.1 ptt? . . . . . 0 N--CA 1.482 1.165 0 CA-C-O 120.792 0.33 . . . . 0.0 110.703 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -105.64 -6.03 19.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.438 -176.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -77.5 110.06 11.97 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.522 -175.212 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.729 ' HA ' HD13 ' A' ' 7' ' ' LEU . 10.2 mp 69.7 2.13 3.68 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.51 0.724 . . . . 0.0 112.738 172.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 36.3 ttt180 -67.45 -37.67 83.31 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.923 0.392 . . . . 0.0 110.57 178.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -70.12 -35.52 74.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.465 178.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.729 HD13 ' HA ' ' A' ' 4' ' ' LEU . 8.4 mp -63.9 -29.33 70.52 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.514 -176.599 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 79.3 mt -59.72 -30.33 68.75 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.494 0.554 . . . . 0.0 112.494 -174.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -59.09 -44.93 91.96 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 111.773 0.286 . . . . 0.0 111.773 -174.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.89 -42.39 85.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.644 0.259 . . . . 0.0 110.901 -177.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -63.95 -41.8 97.49 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.196 0.522 . . . . 0.0 109.806 177.311 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -63.49 -35.12 79.41 Favored 'General case' 0 N--CA 1.457 -0.111 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.966 177.26 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.46 ' O ' HG13 ' A' ' 17' ' ' ILE . 40.6 mt-30 -62.57 -45.99 90.4 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.825 177.699 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.59 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -60.89 -46.21 95.01 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.574 -0.822 . . . . 0.0 111.523 176.401 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 80.4 mt -59.53 -42.9 89.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.75 -0.225 . . . . 0.0 110.998 177.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.595 ' HA ' ' HD3' ' A' ' 19' ' ' LYS . 82.7 tttt -57.31 -47.37 81.67 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.668 0.271 . . . . 0.0 110.792 179.568 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' ' 13' ' ' GLN . 52.5 mt -63.95 -41.23 91.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.351 179.591 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.59 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 96.8 mt -57.6 -41.45 81.26 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.493 177.713 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.595 ' HD3' ' HA ' ' A' ' 16' ' ' LYS . 25.7 mtpp -61.37 -37.19 82.47 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.976 178.673 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -73.66 -41.85 62.14 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.534 178.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.463 HG12 HD23 ' A' ' 33' ' ' LEU . 66.7 t -59.64 -39.68 80.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.285 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 87.9 mt -55.03 -43.66 73.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.889 0.376 . . . . 0.0 111.102 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 38.9 mtmm -72.09 -44.02 63.9 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.03 0.443 . . . . 0.0 110.944 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -70.0 -28.3 65.4 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.858 -175.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.533 ' HA ' HD11 ' A' ' 33' ' ' LEU . . . -71.58 -35.87 70.69 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.818 0.342 . . . . 0.0 110.891 178.207 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -72.13 -31.81 66.35 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 121.138 0.494 . . . . 0.0 110.111 176.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -69.66 -30.77 68.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.364 175.235 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 86.77 31.54 17.86 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.974 -0.632 . . . . 0.0 112.105 179.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.485 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 40.8 t0 -96.61 80.34 3.09 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.353 0.597 . . . . 0.0 110.297 -179.642 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.428 ' HA ' HD13 ' A' ' 33' ' ' LEU . 37.8 mt-10 -69.76 -21.33 63.45 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.508 -175.344 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -64.03 -47.88 78.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.881 0.372 . . . . 0.0 110.533 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -71.46 -38.14 71.29 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.759 175.08 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.533 HD11 ' HA ' ' A' ' 25' ' ' ALA . 81.6 mt -57.06 -41.55 78.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.398 -178.048 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.54 -42.35 98.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.896 0.379 . . . . 0.0 111.035 178.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 16.1 ttm180 -71.44 -43.85 65.93 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.571 ' O ' HG13 ' A' ' 40' ' ' ILE . 93.7 mt -60.94 -38.72 86.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.508 178.573 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 44.4 t-20 -55.98 -48.08 76.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.885 177.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -60.68 -43.12 98.11 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.328 177.119 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -66.74 -34.69 78.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.854 -177.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.571 HG13 ' O ' ' A' ' 36' ' ' LEU . 86.0 mt -57.43 -46.67 85.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 175.533 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.83 HG11 HG21 ' A' ' 78' ' ' ILE . 89.6 t -55.58 -43.41 72.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.628 177.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -63.32 -38.7 92.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.013 179.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.15 -47.01 72.3 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.574 178.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.491 ' HG2' ' O ' ' A' ' 40' ' ' ILE . 5.7 mm-40 -59.27 -46.0 89.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.369 178.264 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.521 ' HE2' HD13 ' A' ' 78' ' ' ILE . 65.4 mmtt -60.92 -41.85 96.97 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.449 -179.739 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.41 ' O ' HG21 ' A' ' 50' ' ' VAL . 58.6 tp60 -60.83 -41.77 96.45 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 178.122 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.32 -46.83 93.63 Favored Glycine 0 N--CA 1.446 -0.659 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.936 176.271 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.433 HG22 ' O ' ' A' ' 44' ' ' GLU . 79.6 t -54.85 -41.55 57.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.672 0.272 . . . . 0.0 111.244 178.634 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.1 -43.88 97.88 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.934 0.397 . . . . 0.0 110.852 179.428 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.494 HG13 ' HG ' ' A' ' 7' ' ' LEU . 46.2 t -69.51 -39.93 79.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.212 179.275 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -61.87 -44.89 95.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.371 177.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -58.44 -37.8 76.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.421 178.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -67.54 -51.65 48.26 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.033 0.444 . . . . 0.0 110.317 177.192 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.98 -31.67 73.02 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.753 -177.058 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.15 -45.91 92.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.65 -179.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -83.22 -5.43 59.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.112 0.482 . . . . 0.0 110.442 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 42.5 mmtm -92.44 15.28 14.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.846 171.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -82.25 105.25 13.18 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.115 0.483 . . . . 0.0 111.702 -178.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -68.48 -27.3 66.02 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.817 171.324 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 25.5 t30 -125.81 122.71 24.6 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.811 -179.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_exo -53.55 -26.26 36.08 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 123.449 2.766 . . . . 0.0 113.634 -177.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -63.63 -33.45 75.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.023 0.44 . . . . 0.0 110.767 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 27.8 ttpp -72.34 -30.3 64.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.66 178.182 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 31.8 ttp85 -69.05 -37.89 78.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.027 178.227 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -57.28 -44.9 84.44 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.149 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 57.7 t -62.45 -44.35 99.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.191 0.52 . . . . 0.0 110.554 178.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 80.6 mt -67.73 -44.07 86.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.144 -179.059 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -59.93 -46.6 88.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.538 -179.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 56.8 tttm -59.44 -44.6 92.89 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.992 -179.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 78.5 mt -71.17 -43.61 74.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.26 179.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.4 tt -61.02 -49.54 76.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.726 -176.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -63.8 -35.12 79.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.476 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.488 ' HB3' ' CE1' ' A' ' 107' ' ' HIS . 22.8 t0 -66.39 -46.26 77.21 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.424 0.631 . . . . 0.0 109.518 176.034 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.28 -38.77 84.6 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.518 -177.487 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -68.61 -33.99 74.99 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-O 120.983 0.42 . . . . 0.0 110.436 177.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -67.79 -35.88 79.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.562 177.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 63.2 m170 -61.19 -47.64 85.21 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.288 0.566 . . . . 0.0 109.828 177.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.83 HG21 HG11 ' A' ' 41' ' ' VAL . 89.0 mt -57.75 -45.26 86.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.609 179.589 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -56.66 -41.32 77.06 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.056 177.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 33.1 t-105 -67.63 -48.59 66.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.875 0.369 . . . . 0.0 110.29 178.226 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 31.8 m-70 -58.66 -31.85 68.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.138 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.477 ' HG3' ' O ' ' A' ' 78' ' ' ILE . 51.6 mtpt -59.31 -46.56 88.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.827 0.346 . . . . 0.0 110.793 177.513 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.3 -44.54 62.58 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.348 178.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.11 -12.64 60.52 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 -172.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.2 p -93.97 12.73 25.15 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.934 -0.306 . . . . 0.0 111.384 -179.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -112.57 5.34 17.82 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 -177.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -140.06 175.94 9.17 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.861 177.383 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -90.11 105.41 3.23 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.302 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.586 ' HB3' ' HB2' ' A' ' 93' ' ' PHE . 13.0 m120 -125.6 119.82 29.12 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.687 0.279 . . . . 0.0 110.677 -179.404 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -127.02 -65.76 0.93 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.212 174.31 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -68.39 -47.11 68.19 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.23 0.538 . . . . 0.0 110.118 -179.022 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -65.98 -35.36 80.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.529 176.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.586 ' HB2' ' HB3' ' A' ' 89' ' ' ASN . 5.0 t80 -60.91 -47.41 86.55 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.793 -176.47 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.471 ' O ' ' HG3' ' A' ' 98' ' ' GLN . . . -57.15 -34.68 68.67 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.206 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 10.0 t -70.71 -39.84 73.19 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.651 -178.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -72.12 -34.92 68.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.166 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.532 HG21 ' O ' ' A' ' 93' ' ' PHE . 86.6 t -62.2 -36.39 74.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.76 178.773 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.471 ' HG3' ' O ' ' A' ' 94' ' ' ALA . 79.0 mt-30 -57.34 -42.19 81.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.611 177.38 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -63.32 -42.03 98.96 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.554 178.614 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.503 ' O ' ' HG2' ' A' ' 104' ' ' GLU . 5.6 t-160 -63.92 -45.24 90.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.863 177.785 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.459 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 54.8 tp -60.01 -48.8 80.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.192 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -64.72 -33.96 77.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.366 0.603 . . . . 0.0 110.451 178.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -63.4 -44.68 93.97 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.575 177.166 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.503 ' HG2' ' O ' ' A' ' 100' ' ' HIS . 17.9 mm-40 -70.35 -32.53 70.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.493 -178.614 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.459 ' HG3' ' O ' ' A' ' 101' ' ' LEU . 77.8 mt-30 -61.02 -38.66 86.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.245 0.545 . . . . 0.0 109.996 176.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 65.8 mtm180 -64.58 -30.63 71.65 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.96 176.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.488 ' CE1' ' HB3' ' A' ' 73' ' ' ASP . 51.3 m170 -68.51 -49.91 56.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.926 175.333 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 48.2 t -65.9 -42.09 91.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.968 -175.02 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -57.0 -38.45 73.08 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 -175.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -70.83 -28.76 64.84 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.674 0.273 . . . . 0.0 111.131 179.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 62.1 mt -78.56 -32.46 16.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.84 0.352 . . . . 0.0 111.333 -179.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -75.77 45.53 0.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.03 0.443 . . . . 0.0 111.811 -176.001 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -78.92 -58.01 3.46 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.243 178.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -93.6 11.66 28.03 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.103 -173.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 51.5 t30 . . . . . 0 C--O 1.247 0.957 0 CA-C-O 118.544 -0.741 . . . . 0.0 109.958 178.604 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.421 ' HG2' ' O ' ' A' ' 1' ' ' MET . 1.5 pmm? . . . . . 0 N--CA 1.477 0.923 0 CA-C-O 121.368 0.604 . . . . 0.0 110.078 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -164.19 162.85 22.92 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.864 -175.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -143.32 166.93 23.38 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 174.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -110.13 -23.93 11.0 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.875 -177.105 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 -68.79 -37.28 79.17 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 111.998 0.369 . . . . 0.0 111.998 -172.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.474 ' HA ' ' HD2' ' A' ' 9' ' ' LYS . 10.9 pt-20 -60.62 -35.32 75.87 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 120.756 -0.377 . . . . 0.0 110.825 179.064 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.428 HD21 HG11 ' A' ' 50' ' ' VAL . 94.4 mt -67.43 -36.88 82.09 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.181 0.515 . . . . 0.0 110.324 176.682 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.54 HD11 HG13 ' A' ' 108' ' ' VAL . 0.3 OUTLIER -67.19 -37.69 84.11 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.957 -0.756 . . . . 0.0 108.957 175.559 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.474 ' HD2' ' HA ' ' A' ' 6' ' ' GLU . 99.0 mttt -61.88 -35.07 77.25 Favored 'General case' 0 C--O 1.225 -0.191 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.881 177.15 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.25 -46.58 89.32 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.754 179.263 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -67.59 -39.28 84.8 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.592 177.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -63.72 -40.46 96.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.815 177.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.577 ' O ' HG13 ' A' ' 17' ' ' ILE . 48.4 tt0 -69.61 -37.42 76.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.921 177.28 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.479 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -58.15 -46.51 92.64 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.82 -0.705 . . . . 0.0 111.609 174.782 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 77.8 mt -63.59 -39.54 85.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.843 0.354 . . . . 0.0 110.301 175.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.415 ' HB3' ' O ' ' A' ' 13' ' ' GLN . 43.4 tttp -55.3 -48.23 74.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.867 175.761 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.577 HG13 ' O ' ' A' ' 13' ' ' GLN . 62.8 mt -62.05 -45.63 98.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.989 178.351 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.538 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 95.7 mt -57.78 -40.55 80.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.953 179.537 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp -63.33 -37.56 87.76 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.763 0.316 . . . . 0.0 111.238 178.371 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -73.24 -34.97 66.17 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.229 177.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 17' ' ' ILE . 89.7 t -62.86 -42.23 95.63 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.312 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.438 175.174 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' A' ' 18' ' ' LEU . 93.4 mt -55.68 -40.17 71.95 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.712 0.291 . . . . 0.0 111.536 -179.506 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -68.35 -42.53 79.13 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.347 0.594 . . . . 0.0 110.351 179.008 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.838 ' HD3' ' HB3' ' A' ' 32' ' ' GLU . 98.4 mttt -83.54 -18.17 39.31 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.362 -0.835 . . . . 0.0 112.076 -173.289 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.31 -31.36 70.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.007 0.432 . . . . 0.0 110.25 175.13 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -69.59 -29.42 66.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.194 175.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -81.13 -35.5 31.48 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.279 -179.011 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.92 38.5 56.02 Favored Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.605 176.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -97.21 122.89 40.74 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.551 0.215 . . . . 0.0 110.448 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -64.92 -41.41 95.58 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.767 -176.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -63.66 -42.32 98.1 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.073 0.463 . . . . 0.0 110.389 -173.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.838 ' HB3' ' HD3' ' A' ' 24' ' ' LYS . 77.1 mm-40 -71.15 -46.56 61.23 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.473 176.522 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 17.3 mt -60.71 -45.63 93.49 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.995 -178.091 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.7 -45.13 91.41 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.566 0.222 . . . . 0.0 111.023 -178.023 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 21.4 ttm180 -59.5 -44.33 93.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.092 0.472 . . . . 0.0 110.344 178.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.708 HD11 ' HD2' ' A' ' 24' ' ' LYS . 81.6 mt -67.13 -45.19 77.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.907 179.568 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -58.87 -42.98 90.74 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.23 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -64.05 -42.07 97.17 Favored 'General case' 0 N--CA 1.441 -0.891 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.722 176.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.867 ' HA ' ' HE3' ' A' ' 42' ' ' LYS . 6.3 tp10 -60.55 -42.42 96.52 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.355 -179.723 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.528 HG13 ' O ' ' A' ' 36' ' ' LEU . 75.4 mt -58.44 -49.64 81.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.324 177.789 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 91.9 t -56.9 -44.67 82.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.944 178.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.867 ' HE3' ' HA ' ' A' ' 39' ' ' GLU . 33.6 mtmt -60.99 -47.24 87.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.264 178.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.17 -46.96 72.4 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.705 -176.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.469 ' O ' HG23 ' A' ' 48' ' ' VAL . 48.2 mt-10 -67.41 -40.78 85.57 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.219 -176.652 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.495 ' HE2' HG23 ' A' ' 78' ' ' ILE . 61.1 mttm -66.5 -32.08 73.22 Favored 'General case' 0 CA--C 1.52 -0.183 0 C-N-CA 120.752 -0.379 . . . . 0.0 111.128 179.016 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.418 ' O ' HG23 ' A' ' 50' ' ' VAL . 24.1 tm0? -61.06 -46.07 92.17 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 175.409 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -65.1 -47.17 84.56 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.852 -0.69 . . . . 0.0 111.988 178.206 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 44' ' ' GLU . 91.2 t -57.65 -41.5 79.42 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-O 120.765 0.317 . . . . 0.0 110.942 179.276 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -61.04 -43.52 98.77 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.682 -179.074 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.428 HG11 HD21 ' A' ' 7' ' ' LEU . 47.0 t -70.25 -41.22 78.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.724 178.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -60.64 -41.91 95.89 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.696 0.284 . . . . 0.0 110.535 177.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.565 ' HG2' HD13 ' A' ' 71' ' ' LEU . 6.7 tmtt? -60.58 -39.98 90.03 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.137 0.494 . . . . 0.0 110.507 176.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -67.22 -45.65 76.19 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.351 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.61 -32.94 68.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.997 -177.642 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.414 ' O ' ' HD2' ' A' ' 64' ' ' ARG . . . -62.82 -38.11 89.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.595 0.236 . . . . 0.0 111.626 -177.58 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -71.4 -23.03 61.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.132 0.491 . . . . 0.0 110.845 177.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -106.2 37.61 2.24 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.944 177.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.97 139.25 52.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.351 -0.84 . . . . 0.0 112.068 -177.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 79.4 mtt180 -102.15 -22.78 14.14 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.036 179.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -152.66 125.73 4.13 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.635 -178.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -50.18 -47.89 22.13 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 123.074 2.516 . . . . 0.0 112.906 178.158 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -61.03 -38.28 85.56 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.005 0.431 . . . . 0.0 110.955 179.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.81 ' HA ' ' HE3' ' A' ' 63' ' ' LYS . 0.7 OUTLIER -68.15 -42.23 80.41 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.298 179.104 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.414 ' HD2' ' O ' ' A' ' 55' ' ' ALA . 9.0 ttp180 -69.71 -29.52 66.94 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.661 -179.079 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.25 -42.35 86.21 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.118 0.485 . . . . 0.0 110.015 176.476 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 98.2 t -61.0 -47.4 93.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.514 175.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 75.4 mt -65.08 -45.95 92.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.988 -179.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -57.05 -45.52 83.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.661 -177.231 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.1 ttpm? -63.44 -43.8 96.37 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.808 -179.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 55.7 mt -70.17 -38.19 73.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.954 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.565 HD13 ' HG2' ' A' ' 52' ' ' LYS . 7.0 tt -57.92 -49.42 76.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.123 177.314 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -65.98 -38.81 89.49 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.609 179.117 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -61.51 -49.24 77.54 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.71 178.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.432 ' O ' HG13 ' A' ' 78' ' ' ILE . 2.4 tp10 -65.62 -41.48 92.65 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.017 -0.992 . . . . 0.0 111.042 -172.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.47 -34.69 77.34 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 121.167 0.508 . . . . 0.0 110.007 174.277 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.882 ' HA ' ' HE3' ' A' ' 76' ' ' LYS . 0.6 OUTLIER -61.86 -36.67 81.92 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.486 179.857 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 51.5 m170 -64.96 -48.3 74.56 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.294 0.568 . . . . 0.0 110.485 177.116 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.495 HG23 ' HE2' ' A' ' 45' ' ' LYS . 52.3 mt -60.69 -38.42 78.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 114.922 -1.035 . . . . 0.0 111.007 -175.632 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -59.08 -39.55 82.47 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.665 -0.243 . . . . 0.0 110.681 176.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 21.3 t-105 -63.46 -50.88 67.99 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 177.012 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -62.59 -30.97 71.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.588 -179.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp -66.62 -46.76 74.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.858 0.361 . . . . 0.0 110.903 173.265 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.47 -29.96 66.66 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.331 -179.172 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.88 -19.36 64.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.34 179.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 38.2 t -64.23 -23.33 67.27 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.953 0.406 . . . . 0.0 110.479 177.028 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -124.88 21.4 8.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.069 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -156.41 33.36 0.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.762 0.791 . . . . 0.0 109.064 -177.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -82.52 77.11 2.14 Favored Glycine 0 N--CA 1.448 -0.518 0 CA-C-N 115.47 -0.786 . . . . 0.0 113.16 -174.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -94.7 122.55 37.43 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 173.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -52.4 -56.16 16.86 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -170.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.49 -37.63 77.3 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.716 0.293 . . . . 0.0 111.496 -175.033 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -64.5 -49.78 70.0 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.22 0.533 . . . . 0.0 109.996 177.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -60.88 -42.34 97.75 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.305 -0.862 . . . . 0.0 110.835 179.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.27 -21.33 66.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.506 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 27.2 m -83.58 -47.48 11.24 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.824 0.345 . . . . 0.0 110.514 178.02 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 10.4 mp -70.81 -31.8 68.66 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.659 -178.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 7.5 p -61.87 -33.74 59.39 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 CA-C-O 120.651 0.263 . . . . 0.0 110.781 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -59.96 -33.55 72.09 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.706 0.289 . . . . 0.0 110.959 177.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -66.8 -35.7 80.68 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.022 176.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -65.74 -42.39 91.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.45 178.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.544 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 3.9 mm? -58.17 -48.7 79.49 Favored 'General case' 0 N--CA 1.461 0.125 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.55 178.139 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -67.3 -38.7 85.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.059 -179.356 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -64.42 -49.0 73.25 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.712 -175.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -63.63 -29.77 70.97 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.539 0.209 . . . . 0.0 111.348 -176.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.544 ' HG3' ' O ' ' A' ' 101' ' ' LEU . 77.5 mt-30 -61.81 -40.06 93.93 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 177.623 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.588 ' HA ' ' HG2' ' A' ' 109' ' ' GLU . 1.1 mtp180 -65.68 -32.38 73.91 Favored 'General case' 0 C--O 1.224 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.961 176.637 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.443 ' O ' HG12 ' A' ' 111' ' ' ILE . 22.7 m170 -63.44 -39.34 94.23 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.318 179.165 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.54 HG13 HD11 ' A' ' 8' ' ' LEU . 59.0 t -67.64 -50.93 56.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.287 178.393 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.588 ' HG2' ' HA ' ' A' ' 106' ' ' ARG . 12.7 pt-20 -66.97 -32.2 73.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.122 -177.542 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.459 ' HB2' ' O ' ' A' ' 106' ' ' ARG . 4.0 tp10 -58.98 -36.47 74.91 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 176.831 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.443 HG12 ' O ' ' A' ' 107' ' ' HIS . 48.9 mm -74.45 -61.78 1.57 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.418 178.228 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.45 -66.6 0.46 Allowed 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 179.434 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.629 ' HG3' ' H ' ' A' ' 114' ' ' LYS . 46.7 pttt -164.54 -65.85 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 120.828 0.346 . . . . 0.0 111.862 -176.26 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.629 ' H ' ' HG3' ' A' ' 113' ' ' LYS . 73.0 mmtt -165.91 -36.03 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.079 0.952 . . . . 0.0 108.864 -170.298 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 . . . . . 0 C--O 1.243 0.759 0 CA-C-N 114.503 -1.226 . . . . 0.0 109.872 -178.4 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 95.9 mt . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.769 0.319 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 48.7 mt -60.71 -30.05 69.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.877 177.615 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -58.02 -34.99 70.64 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.764 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.85 -46.6 71.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.579 178.678 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -65.39 -44.59 87.06 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.69 179.181 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -57.81 -42.33 84.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.042 179.358 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -65.26 -46.47 80.36 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.659 179.219 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.508 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -59.7 -46.53 93.86 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.877 -0.677 . . . . 0.0 112.237 178.707 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.498 ' O ' ' HG2' ' A' ' 19' ' ' LYS . 76.3 mt -62.65 -40.72 89.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.633 0.254 . . . . 0.0 111.107 179.227 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -61.98 -40.78 96.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.765 0.317 . . . . 0.0 110.639 -178.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.476 ' O ' HG23 ' A' ' 21' ' ' VAL . 64.3 mt -65.98 -40.07 86.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.351 176.633 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 91.5 mt -57.56 -36.11 71.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.318 178.525 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.498 ' HG2' ' O ' ' A' ' 15' ' ' ILE . 30.7 mmmt -56.5 -45.36 81.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.092 0.472 . . . . 0.0 110.348 177.554 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.46 ' HA ' ' OE1' ' A' ' 20' ' ' GLU . 9.4 mm-40 -72.45 -33.64 67.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.594 179.54 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.547 HG21 HD11 ' A' ' 40' ' ' ILE . 76.4 t -59.53 -39.24 78.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.397 176.186 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 90.9 mt -60.54 -39.48 88.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.713 175.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.402 ' HE2' ' HB3' ' A' ' 23' ' ' LYS . 1.9 mmmm -65.62 -48.24 72.93 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.668 178.67 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.47 ' HG2' ' HB3' ' A' ' 32' ' ' GLU . 5.5 mptp? -74.54 -25.19 59.16 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.817 -175.588 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.84 -42.17 99.64 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.959 0.409 . . . . 0.0 110.077 175.324 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -72.64 -35.12 67.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.853 176.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -61.12 -48.49 81.42 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.561 175.687 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.66 58.81 4.35 Favored Glycine 0 N--CA 1.448 -0.514 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.726 176.694 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -127.07 133.91 50.37 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 110.329 -0.249 . . . . 0.0 110.329 176.556 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -62.96 -44.16 96.82 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.542 -175.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.4 mp0 -63.46 -47.78 80.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.646 0.26 . . . . 0.0 110.692 -177.269 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.47 ' HB3' ' HG2' ' A' ' 24' ' ' LYS . 37.8 mm-40 -62.15 -44.92 95.56 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.157 177.751 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 33' ' ' LEU . 17.9 mt -65.19 -45.8 83.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.156 -177.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.85 -44.12 86.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.817 0.342 . . . . 0.0 110.708 -179.392 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.446 ' O ' ' HG2' ' A' ' 39' ' ' GLU . 61.9 ttt180 -59.62 -44.11 93.55 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.451 178.323 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.483 ' O ' HG13 ' A' ' 40' ' ' ILE . 28.6 mt -68.39 -40.23 81.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.087 178.093 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.468 ' O ' HG23 ' A' ' 41' ' ' VAL . 26.5 t-20 -56.26 -44.84 80.11 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 174.722 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.52 ' HA ' ' OE1' ' A' ' 38' ' ' GLN . 11.2 mm-40 -62.49 -40.84 98.0 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.464 177.804 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' A' ' 35' ' ' ARG . 64.7 mm-40 -63.1 -41.94 99.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.879 177.158 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.547 HD11 HG21 ' A' ' 21' ' ' VAL . 85.3 mt -59.81 -50.01 81.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 179.41 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 37' ' ' ASN . 89.8 t -53.73 -50.57 50.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.979 -179.134 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt -63.54 -44.07 95.26 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.53 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.92 -47.28 72.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.875 -175.621 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -64.86 -40.0 94.44 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.592 -177.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.477 ' HG3' HD13 ' A' ' 78' ' ' ILE . 67.1 mttm -69.89 -32.27 70.51 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.521 179.102 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 50.5 tp60 -62.17 -37.09 83.94 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 172.327 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.597 ' O ' ' HD1' ' A' ' 51' ' ' TYR . . . -62.05 -47.24 91.25 Favored Glycine 0 N--CA 1.448 -0.528 0 CA-C-N 115.039 -0.982 . . . . 0.0 111.543 172.755 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 79.4 t -55.91 -38.65 53.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.794 0.33 . . . . 0.0 110.406 176.351 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.5 tptm -61.73 -49.75 75.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.56 -179.009 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 8.6 m -68.5 -37.55 77.92 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.081 0 C-N-CA 120.845 -0.342 . . . . 0.0 111.305 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.597 ' HD1' ' O ' ' A' ' 47' ' ' GLY . 36.9 m-85 -65.82 -49.11 69.39 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 121.032 -0.267 . . . . 0.0 110.788 178.351 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -60.79 -39.39 88.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.116 0.484 . . . . 0.0 110.797 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -64.79 -41.97 95.41 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.585 179.296 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.06 -32.83 67.44 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.458 179.12 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.43 -39.47 83.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.484 -179.364 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -82.82 15.09 2.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.059 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.1 ttpp -142.61 33.77 1.44 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.57 0.7 . . . . 0.0 109.236 176.063 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -88.21 111.0 21.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.183 -178.711 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -60.43 -35.04 74.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.176 179.112 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.407 ' OD1' ' HD2' ' A' ' 61' ' ' PRO . 31.4 t30 -124.11 129.21 24.82 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.612 -178.702 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.407 ' HD2' ' OD1' ' A' ' 60' ' ' ASN . 94.7 Cg_exo -46.15 -34.3 13.14 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 123.503 2.802 . . . . 0.0 113.531 177.291 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -63.98 -32.79 74.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.877 0.37 . . . . 0.0 110.872 178.663 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.458 ' HE2' HD11 ' A' ' 67' ' ' ILE . 1.4 tmtp? -69.51 -38.02 77.42 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 178.447 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 17.6 ttm-85 -69.47 -40.34 77.16 Favored 'General case' 0 C--O 1.223 -0.319 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.061 175.41 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -55.77 -45.52 78.11 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 123.182 0.593 . . . . 0.0 111.647 -178.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 92.7 t -65.69 -46.38 89.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.997 0.427 . . . . 0.0 110.316 178.309 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.458 HD11 ' HE2' ' A' ' 63' ' ' LYS . 52.0 mt -60.34 -48.11 89.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.473 178.827 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -60.86 -41.2 95.44 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.125 -176.376 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.459 ' C ' ' HD3' ' A' ' 69' ' ' LYS . 14.1 tmtt? -63.03 -46.42 87.66 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.663 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 17.7 mt -71.63 -37.15 62.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.163 179.287 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.6 tt -55.5 -47.55 76.02 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 176.294 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -65.2 -40.76 94.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.129 177.586 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.442 ' O ' ' HB2' ' A' ' 76' ' ' LYS . 0.4 OUTLIER -60.96 -49.24 78.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.101 -178.841 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.7 -39.55 94.37 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.208 -173.157 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -67.2 -36.45 81.76 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.936 174.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.442 ' HB2' ' O ' ' A' ' 73' ' ' ASP . 25.4 mmmt -58.56 -38.47 77.92 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.86 178.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.579 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 55.1 m170 -61.93 -48.06 82.1 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.299 179.063 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.477 HD13 ' HG3' ' A' ' 45' ' ' LYS . 45.8 mt -61.99 -43.1 97.13 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.297 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.748 -178.311 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -56.91 -37.26 71.19 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.174 179.15 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 33.1 t-105 -67.7 -52.95 31.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.642 177.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -61.98 -32.11 72.54 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.764 -179.45 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.404 ' HZ3' ' HB3' ' A' ' 82' ' ' LYS . 5.8 ttpm? -71.39 -39.76 70.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.952 0.406 . . . . 0.0 110.676 178.64 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.52 -24.42 67.12 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.853 -176.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.698 178.581 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -68.51 -44.4 74.75 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.578 176.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -63.95 -36.1 82.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.165 176.31 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.621 ' O ' HG23 ' A' ' 97' ' ' VAL . 39.3 t80 -66.78 -49.14 66.84 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.65 -174.801 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.44 -39.51 76.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.477 -178.622 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 11.1 t -60.92 -42.9 99.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.498 179.246 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.431 HD13 ' HA ' ' A' ' 96' ' ' LEU . 4.1 mm? -72.68 -32.49 65.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.813 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 93' ' ' PHE . 93.8 t -61.8 -35.04 65.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.591 0.234 . . . . 0.0 110.578 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -56.08 -37.2 69.01 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.505 178.389 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -69.94 -42.39 73.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.643 -179.116 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' HIS . . . . . 0.579 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 4.5 t-160 -63.53 -43.61 96.63 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 178.402 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 48.6 tp -63.16 -48.65 77.52 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.224 -178.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -64.03 -35.57 81.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.072 0.463 . . . . 0.0 110.586 178.63 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -65.27 -49.1 70.85 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.925 -179.082 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.424 ' O ' ' HB2' ' A' ' 107' ' ' HIS . 14.2 mm-40 -66.06 -32.62 74.19 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.929 0.395 . . . . 0.0 110.43 -178.593 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 -65.76 -33.26 75.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.191 -0.458 . . . . 0.0 109.965 174.07 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 57.7 ttt-85 -69.88 -35.0 74.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.526 175.557 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.432 ' CE1' ' HB3' ' A' ' 73' ' ' ASP . 21.5 m170 -59.0 -40.13 83.94 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.836 175.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 57.3 t -61.75 -41.06 89.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.198 176.31 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -67.62 -36.85 81.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.933 177.502 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -64.28 -29.87 70.95 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.64 177.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 42.3 mm -87.16 -65.0 0.98 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.442 177.248 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 . . . . . 0 C--N 1.33 -0.268 0 N-CA-C 112.446 0.536 . . . . 0.0 112.446 -171.354 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.429 HD12 ' N ' ' A' ' 7' ' ' LEU . 6.5 mp . . . . . 0 N--CA 1.455 -0.176 0 CA-C-O 120.905 0.383 . . . . 0.0 110.341 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 77.3 mt -61.79 -45.53 93.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.304 179.359 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 58.9 tttm -61.99 -34.61 76.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.685 -176.592 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.41 -46.83 78.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.743 178.22 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -64.03 -43.3 95.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.665 178.244 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -64.09 -36.27 83.47 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.955 179.129 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 53.4 tp60 -66.74 -44.48 81.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.333 179.11 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.621 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -58.93 -46.58 93.43 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.824 -0.703 . . . . 0.0 111.504 176.524 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.481 HG23 ' CD1' ' A' ' 101' ' ' LEU . 67.7 mt -58.4 -42.68 84.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.844 0.354 . . . . 0.0 110.806 176.53 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -60.92 -41.04 95.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.807 -179.331 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.52 ' O ' HG23 ' A' ' 21' ' ' VAL . 69.4 mt -68.32 -43.15 84.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.477 176.842 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.621 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 95.4 mt -57.3 -37.32 72.28 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.45 -178.565 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.436 ' HG3' ' O ' ' A' ' 15' ' ' ILE . 9.7 mtpm? -57.47 -45.11 85.19 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-O 120.99 0.424 . . . . 0.0 111.258 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -73.71 -32.15 63.76 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.396 -179.44 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.621 HG21 HD11 ' A' ' 40' ' ' ILE . 60.3 t -60.87 -37.66 77.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.701 -0.227 . . . . 0.0 110.395 174.42 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 92.4 mt -56.78 -40.28 75.6 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.739 0.304 . . . . 0.0 110.716 175.609 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 29.8 mmtp -57.26 -46.97 82.56 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.478 0.656 . . . . 0.0 110.139 176.008 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.551 ' HD2' ' HG2' ' A' ' 32' ' ' GLU . 70.3 mmtt -79.75 -20.69 45.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.937 -1.029 . . . . 0.0 111.879 -173.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.441 ' HB1' ' HB2' ' A' ' 94' ' ' ALA . . . -71.0 -31.89 68.55 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.122 0.487 . . . . 0.0 109.908 174.843 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -68.09 -42.36 80.47 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.232 174.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -66.53 -48.74 68.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.594 178.399 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.54 55.22 2.91 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.885 176.586 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.518 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 28.3 t70 -115.72 114.3 24.64 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 173.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -66.55 -30.56 70.9 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.346 -173.398 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -65.25 -48.95 71.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.142 0.496 . . . . 0.0 110.113 178.068 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.551 ' HG2' ' HD2' ' A' ' 24' ' ' LYS . 8.0 tp10 -63.0 -45.49 92.15 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.976 177.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 76.9 mt -59.58 -38.19 80.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.225 179.671 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.519 ' O ' ' HG2' ' A' ' 38' ' ' GLN . . . -65.27 -45.79 83.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.983 179.58 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.4 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 57.2 ttp85 -61.59 -46.37 90.13 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.731 177.809 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.555 ' HB3' HG22 ' A' ' 21' ' ' VAL . 95.4 mt -59.92 -45.2 93.34 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.377 177.556 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.498 ' O ' HG23 ' A' ' 41' ' ' VAL . 66.7 t30 -56.29 -44.11 79.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.925 177.198 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.519 ' HG2' ' O ' ' A' ' 34' ' ' ALA . 14.2 mm100 -57.69 -41.88 82.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.054 178.457 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -67.6 -41.97 83.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.557 179.334 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.621 HD11 HG21 ' A' ' 21' ' ' VAL . 83.1 mt -58.64 -49.85 81.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.72 178.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.503 HG13 HG23 ' A' ' 78' ' ' ILE . 98.3 t -55.04 -48.51 75.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.454 -177.344 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -64.04 -38.0 89.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.692 0.282 . . . . 0.0 111.47 -179.003 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.58 -47.18 67.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.649 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.464 ' O ' HG23 ' A' ' 48' ' ' VAL . 8.4 mm-40 -60.7 -38.42 84.95 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.871 178.829 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.493 ' HE2' HG12 ' A' ' 41' ' ' VAL . 66.3 mttm -59.0 -38.84 80.14 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.922 0.392 . . . . 0.0 110.83 177.795 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 46.0 tp60 -67.03 -39.23 86.95 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.742 -178.72 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.14 -44.96 94.96 Favored Glycine 0 N--CA 1.45 -0.392 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.768 176.101 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.488 HG22 ' HB3' ' A' ' 74' ' ' GLU . 99.3 t -57.56 -40.07 72.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.894 0.378 . . . . 0.0 110.751 177.745 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -65.37 -49.49 69.13 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.118 -179.519 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 33.1 m -69.71 -31.06 47.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 C-N-CA 121.122 -0.231 . . . . 0.0 111.424 -177.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.408 ' CE2' HD23 ' A' ' 7' ' ' LEU . 9.2 m-85 -71.05 -37.86 72.53 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 121.185 -0.206 . . . . 0.0 110.984 176.693 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.3 mmtp -67.87 -38.56 83.23 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.393 177.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -62.61 -37.42 86.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.246 0.546 . . . . 0.0 109.663 175.07 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.584 ' HA ' ' HB3' ' A' ' 57' ' ' LYS . . . -68.43 -32.58 72.71 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.129 177.08 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.9 -39.73 94.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.797 0.332 . . . . 0.0 111.177 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -86.37 -7.11 58.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.459 0.647 . . . . 0.0 110.361 178.133 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.584 ' HB3' ' HA ' ' A' ' 54' ' ' ALA . 31.5 tptt -87.86 -20.81 25.51 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.007 -0.997 . . . . 0.0 109.863 174.49 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.26 137.9 57.8 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.412 -178.67 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.2 ttt180 -94.42 -24.92 17.14 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.818 -175.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.544 ' HB2' ' HG2' ' A' ' 63' ' ' LYS . 15.6 m120 -130.32 146.01 59.8 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.488 -175.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -54.76 -39.08 91.25 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.924 2.416 . . . . 0.0 112.398 176.523 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -59.18 -38.9 80.94 Favored 'General case' 0 N--CA 1.461 0.124 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.581 178.43 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.544 ' HG2' ' HB2' ' A' ' 60' ' ' ASN . 71.9 mmtt -75.16 -32.95 61.44 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.067 -179.118 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 32.9 ttt180 -62.26 -40.16 95.29 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.186 176.184 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -55.68 -44.41 77.31 Favored 'General case' 0 N--CA 1.455 -0.217 0 O-C-N 123.286 0.366 . . . . 0.0 111.226 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.9 t -62.56 -48.39 88.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.835 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 63.7 mt -69.46 -42.85 81.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.826 -178.511 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -59.97 -38.31 82.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.195 -178.507 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -59.63 -47.75 84.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.06 0.457 . . . . 0.0 110.756 -178.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.484 HG23 ' ND1' ' A' ' 107' ' ' HIS . 26.2 mt -73.62 -38.59 52.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.965 178.415 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -56.34 -48.19 77.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.892 0.377 . . . . 0.0 110.376 178.326 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.98 -41.99 94.95 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.156 179.484 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.465 ' O ' ' HB3' ' A' ' 76' ' ' LYS . 1.3 t70 -69.33 -37.37 77.67 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.915 -176.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.488 ' HB3' HG22 ' A' ' 48' ' ' VAL . 2.7 tp10 -68.25 -35.42 77.88 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.143 -176.497 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -65.8 -43.26 89.24 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 171.372 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.465 ' HB3' ' O ' ' A' ' 73' ' ' ASP . 33.7 ttmt -57.47 -39.44 76.39 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.031 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 63.2 m170 -59.34 -47.75 84.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.062 0.458 . . . . 0.0 110.534 177.661 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.503 HG23 HG13 ' A' ' 41' ' ' VAL . 61.1 mt -61.48 -48.54 88.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.556 -179.081 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -59.41 -36.95 76.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.373 178.44 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 15.0 t-105 -65.41 -52.29 54.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.582 179.029 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 25.4 m-70 -60.58 -35.69 76.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.913 177.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.78 -35.83 80.99 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 179.057 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.63 -20.65 65.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.597 -179.249 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.681 -179.106 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.236 0 CA-C-O 121.117 0.484 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.51 ' CD ' ' H ' ' A' ' 91' ' ' GLU . 0.0 OUTLIER -62.11 -41.31 98.1 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.643 178.113 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.489 ' O ' ' HG ' ' A' ' 96' ' ' LEU . 50.7 mt-30 -68.1 -46.1 71.89 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.642 177.561 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.484 ' CE2' HD22 ' A' ' 33' ' ' LEU . 75.9 t80 -63.41 -38.24 90.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.751 -179.406 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.441 ' HB2' ' HB1' ' A' ' 25' ' ' ALA . . . -57.71 -39.92 78.32 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.126 178.142 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.536 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 32.7 t -68.2 -38.05 81.57 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.34 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' A' ' 92' ' ' GLN . 65.5 mt -62.06 -43.03 99.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.81 -177.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 93' ' ' PHE . 38.9 t -64.22 -36.56 77.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.519 179.208 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.409 ' HG3' ' O ' ' A' ' 94' ' ' ALA . 55.1 mt-30 -65.37 -35.1 79.92 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.536 ' HG2' ' O ' ' A' ' 95' ' ' SER . 55.4 mm-40 -69.27 -42.36 75.66 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 178.373 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -64.16 -45.11 89.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.029 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.481 ' CD1' HG23 ' A' ' 15' ' ' ILE . 42.7 tp -59.82 -49.5 77.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.236 -178.763 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.685 ' HB3' HH21 ' A' ' 106' ' ' ARG . 7.6 mm-40 -64.92 -34.83 79.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.352 0.596 . . . . 0.0 110.711 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -66.08 -49.39 67.75 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.331 -0.849 . . . . 0.0 111.218 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -67.34 -30.91 70.86 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.512 0.196 . . . . 0.0 110.8 -177.141 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.484 ' O ' ' HG3' ' A' ' 109' ' ' GLU . 54.8 mt-30 -61.27 -40.65 94.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.015 0.436 . . . . 0.0 110.171 175.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.685 HH21 ' HB3' ' A' ' 102' ' ' GLN . 21.3 mtm180 -72.12 -31.58 66.14 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.988 175.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.484 ' ND1' HG23 ' A' ' 70' ' ' ILE . 13.0 m170 -58.31 -46.84 85.39 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 174.071 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 69.0 t -66.6 -37.77 80.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.127 178.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.484 ' HG3' ' O ' ' A' ' 105' ' ' GLN . 32.4 mt-10 -59.81 -45.99 90.61 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -178.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -65.48 -29.92 70.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.741 0.305 . . . . 0.0 111.012 -178.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 48.9 mm -76.93 -58.67 4.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.873 177.442 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 . . . . . 0 C--N 1.328 -0.342 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -176.575 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.413 HD22 ' HB ' ' A' ' 50' ' ' VAL . 56.3 mt . . . . . 0 C--O 1.233 0.224 0 CA-C-O 121.001 0.429 . . . . 0.0 110.525 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.465 HD22 HG21 ' A' ' 111' ' ' ILE . 44.8 mt -62.58 -30.13 71.1 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.427 -178.588 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -60.18 -34.61 73.83 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.359 -174.403 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.87 -46.63 65.1 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.681 -175.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -64.6 -38.27 90.44 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 178.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 76.6 mm-40 -64.24 -42.36 96.57 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.194 176.571 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.447 ' O ' HG13 ' A' ' 17' ' ' ILE . 58.2 tp60 -60.89 -44.99 96.35 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.86 179.29 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.612 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -58.26 -46.48 92.81 Favored Glycine 0 N--CA 1.453 -0.193 0 C-N-CA 120.619 -0.801 . . . . 0.0 111.894 178.368 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.417 ' HA ' HD12 ' A' ' 18' ' ' LEU . 75.1 mt -61.34 -38.85 80.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.016 0.436 . . . . 0.0 110.946 177.728 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.1 tttp -62.77 -42.1 99.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.729 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 13' ' ' GLN . 62.9 mt -67.42 -37.93 79.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.328 178.158 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.612 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 95.6 mt -57.49 -39.12 75.74 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.799 179.3 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -58.59 -45.42 89.14 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 120.933 0.397 . . . . 0.0 110.892 178.287 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -65.32 -41.67 93.74 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.542 -178.067 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.575 HG21 HD11 ' A' ' 40' ' ' ILE . 91.1 t -62.81 -39.61 85.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.147 -179.24 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.603 HD11 HD22 ' A' ' 101' ' ' LEU . 92.4 mt -55.39 -45.8 76.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.823 0.344 . . . . 0.0 110.997 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -66.76 -48.11 70.09 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.769 179.326 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.852 ' HE2' ' HA ' ' A' ' 24' ' ' LYS . 8.3 mmpt? -69.71 -38.03 76.79 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.319 -173.455 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.532 ' HA ' HD11 ' A' ' 33' ' ' LEU . . . -71.54 -35.32 70.61 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.748 0.309 . . . . 0.0 111.036 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.46 ' HE3' ' HB3' ' A' ' 26' ' ' LYS . 0.8 OUTLIER -71.82 -37.24 70.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.336 177.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -71.69 -46.44 58.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.033 177.081 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 117.92 29.01 2.1 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.399 -0.905 . . . . 0.0 113.194 177.698 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.469 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 4.2 m-20 -81.49 68.61 7.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.207 0.527 . . . . 0.0 110.058 174.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.519 ' HA ' HD12 ' A' ' 33' ' ' LEU . 30.7 mt-10 -63.04 -35.64 80.89 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.655 -174.321 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 56.8 tp60 -67.38 -38.13 84.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.132 0.492 . . . . 0.0 110.639 179.435 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -71.54 -36.31 70.95 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.072 177.446 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.532 HD11 ' HA ' ' A' ' 25' ' ' ALA . 48.0 mt -55.7 -35.46 66.09 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 115.608 -0.723 . . . . 0.0 111.79 -178.61 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.68 -43.08 94.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.898 0.38 . . . . 0.0 110.867 178.698 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -69.44 -49.09 58.31 Favored 'General case' 0 N--CA 1.442 -0.864 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.116 177.783 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.533 ' O ' HG13 ' A' ' 40' ' ' ILE . 98.6 mt -59.39 -44.59 92.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.266 -175.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -58.91 -46.28 88.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.879 -178.688 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -58.91 -44.46 91.24 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.405 -179.306 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -67.56 -31.39 71.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.54 -176.442 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.575 HD11 HG21 ' A' ' 21' ' ' VAL . 75.2 mt -58.39 -49.89 80.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.981 0.42 . . . . 0.0 110.128 175.221 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.681 HG13 HG23 ' A' ' 78' ' ' ILE . 61.9 t -58.15 -45.68 88.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.948 -179.332 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -63.56 -44.88 92.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.471 -179.009 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.52 -47.06 65.02 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -175.482 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -64.85 -45.05 87.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.684 0.278 . . . . 0.0 111.05 -177.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.498 ' O ' HG12 ' A' ' 48' ' ' VAL . 56.9 tttt -69.87 -30.41 67.86 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.945 -176.339 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 46.4 tp60 -60.79 -45.38 94.59 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 173.49 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -69.27 -43.24 71.79 Favored Glycine 0 N--CA 1.448 -0.513 0 CA-C-N 115.4 -0.818 . . . . 0.0 113.043 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.498 HG12 ' O ' ' A' ' 45' ' ' LYS . 2.2 p -59.97 -37.1 70.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.119 0.485 . . . . 0.0 109.882 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.762 ' HA ' ' HE3' ' A' ' 49' ' ' LYS . 0.4 OUTLIER -59.56 -50.25 74.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.652 178.618 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.413 ' HB ' HD22 ' A' ' 7' ' ' LEU . 2.9 m -69.57 -32.45 52.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.825 -0.35 . . . . 0.0 111.518 -179.408 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.536 ' HB3' HD21 ' A' ' 71' ' ' LEU . 21.8 m-85 -65.27 -38.75 91.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.822 0.344 . . . . 0.0 110.287 173.802 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.617 ' HG3' HD22 ' A' ' 71' ' ' LEU . 95.2 mttt -66.97 -33.27 75.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.331 179.01 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -67.78 -42.63 81.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.142 0.496 . . . . 0.0 109.788 174.452 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.36 -32.85 74.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.832 178.648 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.24 -32.73 73.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.197 178.067 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -75.85 -15.77 60.17 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.074 0.464 . . . . 0.0 110.375 178.583 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' A' ' 57' ' ' LYS . 49.0 tttm -112.77 17.69 18.84 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.706 0.765 . . . . 0.0 109.394 -178.297 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.449 ' O ' ' HB2' ' A' ' 59' ' ' ARG . . . -73.98 -26.73 60.62 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.742 -174.72 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.449 ' HB2' ' O ' ' A' ' 58' ' ' ALA . 24.0 mmt180 70.4 -62.2 0.44 Allowed 'General case' 0 N--CA 1.469 0.496 0 O-C-N 123.745 0.653 . . . . 0.0 111.219 -178.484 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.416 ' OD1' ' HB2' ' A' ' 62' ' ' GLU . 28.2 t-20 -91.09 125.2 59.42 Favored Pre-proline 0 C--N 1.32 -0.693 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.353 -179.225 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_endo -59.91 -33.17 95.94 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 123.325 2.683 . . . . 0.0 113.079 -175.665 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.416 ' HB2' ' OD1' ' A' ' 60' ' ' ASN . 43.1 mt-10 -67.79 -30.47 69.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.726 -0.215 . . . . 0.0 111.223 -177.483 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt -75.0 -34.27 61.94 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 176.6 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 23.1 ttt180 -69.01 -34.63 75.58 Favored 'General case' 0 C--O 1.22 -0.492 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.874 175.104 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -55.67 -44.12 76.98 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 120.905 0.383 . . . . 0.0 111.046 177.197 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.755 HG13 ' HG3' ' A' ' 110' ' ' GLU . 97.1 t -60.91 -52.09 65.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.768 178.144 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.58 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 55.8 mt -66.07 -44.4 91.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.045 -178.083 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.456 ' HA ' HD12 ' A' ' 71' ' ' LEU . 31.7 t70 -59.73 -36.92 77.57 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 122.896 0.479 . . . . 0.0 111.753 -176.437 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.419 ' O ' ' HD3' ' A' ' 69' ' ' LYS . 9.2 tmtt? -59.13 -45.05 91.94 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 177.585 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.471 HG23 ' ND1' ' A' ' 107' ' ' HIS . 43.9 mt -71.75 -37.88 64.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.987 176.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.617 HD22 ' HG3' ' A' ' 52' ' ' LYS . 71.8 mt -55.64 -49.62 72.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.158 0.504 . . . . 0.0 110.958 176.855 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -69.3 -35.75 76.32 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.101 179.095 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.508 ' HB3' ' CE1' ' A' ' 107' ' ' HIS . 0.5 OUTLIER -63.44 -50.19 70.75 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.999 179.281 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.419 ' O ' HG13 ' A' ' 78' ' ' ILE . 3.3 tp10 -63.08 -35.96 81.99 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.071 -0.968 . . . . 0.0 109.827 -175.484 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.58 -34.86 77.83 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.253 0.549 . . . . 0.0 110.424 174.674 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 25.1 tptp -67.52 -31.6 71.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.137 178.615 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.43 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 43.7 m170 -70.99 -48.1 55.11 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.573 0.701 . . . . 0.0 109.954 177.238 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.681 HG23 HG13 ' A' ' 41' ' ' VAL . 93.1 mt -62.11 -42.42 95.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 114.75 -1.114 . . . . 0.0 112.282 -173.804 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 80' ' ' TRP . 4.5 pt-20 -56.8 -35.54 68.86 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.944 0.402 . . . . 0.0 110.747 179.057 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.575 ' CZ2' HD13 ' A' ' 96' ' ' LEU . 15.5 t-105 -71.44 -58.28 3.66 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.732 179.787 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 49.1 m-70 -59.61 -40.5 87.72 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -175.151 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -64.56 -41.23 96.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.73 0.3 . . . . 0.0 110.668 -178.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.94 -33.47 68.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.049 0.452 . . . . 0.0 111.128 178.297 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 115.702 -0.681 . . . . 0.0 112.701 -176.04 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.309 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 92' ' ' GLN . 13.7 pt-20 -64.11 -44.89 90.88 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -170.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.416 ' N ' ' HG3' ' A' ' 91' ' ' GLU . 19.0 pt20 -68.09 -34.36 76.26 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.113 0.482 . . . . 0.0 110.027 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.426 ' O ' HG23 ' A' ' 97' ' ' VAL . 86.4 t80 -66.11 -46.54 77.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.99 177.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.405 ' HB2' ' HB3' ' A' ' 25' ' ' ALA . . . -58.32 -42.46 86.81 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.351 178.74 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 50.0 m -60.75 -40.6 93.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.104 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.575 HD13 ' CZ2' ' A' ' 80' ' ' TRP . 73.5 mt -72.26 -33.24 67.35 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.167 -178.778 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 93' ' ' PHE . 98.5 t -71.72 -35.62 56.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.154 0.502 . . . . 0.0 110.486 175.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.39 -44.02 84.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.163 179.439 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -66.89 -34.1 77.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.802 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' HIS . . . . . 0.43 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 6.7 t-160 -60.24 -43.87 95.72 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 175.17 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.603 HD22 HD11 ' A' ' 22' ' ' LEU . 40.3 tp -60.19 -45.58 92.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.967 179.119 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -61.51 -39.92 92.73 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-O 121.151 0.501 . . . . 0.0 110.575 178.681 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -59.97 -48.78 80.29 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.475 179.293 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.403 ' O ' HG23 ' A' ' 108' ' ' VAL . 28.7 mm-40 -64.57 -20.3 66.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.28 -176.01 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.459 ' HG3' ' O ' ' A' ' 101' ' ' LEU . 77.8 mt-30 -63.15 -38.53 91.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.96 0.409 . . . . 0.0 109.94 176.746 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 25.0 mmt180 -70.07 -33.19 71.6 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.157 175.657 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.508 ' CE1' ' HB3' ' A' ' 73' ' ' ASP . 14.3 m170 -60.44 -50.21 74.49 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.022 177.543 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 104' ' ' GLU . 58.1 t -63.09 -40.8 90.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.442 -178.52 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -58.0 -48.67 79.34 Favored 'General case' 0 CA--C 1.519 -0.213 0 N-CA-C 111.627 0.232 . . . . 0.0 111.627 -178.712 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.755 ' HG3' HG13 ' A' ' 66' ' ' VAL . 14.5 tp10 -70.53 -33.45 71.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.887 0.375 . . . . 0.0 110.313 -176.205 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.492 HG12 ' O ' ' A' ' 107' ' ' HIS . 28.7 mm -56.92 -48.86 80.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.074 173.304 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.895 -176.835 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.421 ' HB3' ' HE1' ' A' ' 51' ' ' TYR . 6.9 mp . . . . . 0 N--CA 1.464 0.235 0 CA-C-O 120.611 0.243 . . . . 0.0 111.141 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.562 ' O ' ' HG2' ' A' ' 12' ' ' GLN . 55.3 mt -64.8 -33.82 76.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.932 -179.623 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 53.0 tttp -59.03 -38.2 78.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.535 -173.715 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.18 -46.32 74.33 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 111.548 0.203 . . . . 0.0 111.548 -177.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -64.37 -37.71 88.47 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 121.007 0.432 . . . . 0.0 109.946 178.347 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.562 ' HG2' ' O ' ' A' ' 8' ' ' LEU . 85.3 mm-40 -66.28 -43.36 86.63 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.8 176.823 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.437 ' O ' HG13 ' A' ' 17' ' ' ILE . 8.4 mm-40 -62.34 -41.32 98.47 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.505 -179.432 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.6 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -58.66 -46.38 93.41 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.699 -0.763 . . . . 0.0 111.987 179.334 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.472 ' HA ' HD12 ' A' ' 18' ' ' LEU . 68.2 mt -61.27 -42.1 92.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.818 0.342 . . . . 0.0 110.779 178.366 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.755 ' HA ' ' HE2' ' A' ' 19' ' ' LYS . 80.1 tttt -58.25 -47.44 83.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.666 178.597 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.55 ' O ' HG23 ' A' ' 21' ' ' VAL . 70.5 mt -63.47 -39.46 85.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.443 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.6 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 95.7 mt -56.75 -39.49 74.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.289 -178.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.755 ' HE2' ' HA ' ' A' ' 16' ' ' LYS . 42.9 mtmt -61.15 -45.86 92.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.28 0.562 . . . . 0.0 110.591 179.409 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.02 -32.18 63.26 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.621 -177.539 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.667 HG21 HD11 ' A' ' 40' ' ' ILE . 64.9 t -59.85 -49.77 82.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.795 -0.184 . . . . 0.0 111.181 177.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 19' ' ' LYS . 4.3 pp -66.69 -34.25 77.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.335 0.588 . . . . 0.0 109.783 177.076 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.17 -47.65 85.21 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.422 178.726 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 32.9 tptt -78.12 -22.33 49.03 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.872 -175.61 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.525 ' HA ' HD11 ' A' ' 33' ' ' LEU . . . -64.64 -36.01 82.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.49 177.099 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -71.83 -27.43 62.9 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.452 177.432 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -74.04 -43.17 58.81 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.073 176.282 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.8 37.68 5.16 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.687 -0.768 . . . . 0.0 114.337 169.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -97.19 106.26 18.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 117.526 0.663 . . . . 0.0 109.476 172.533 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -66.93 -38.74 86.73 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.487 -175.721 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -63.64 -44.17 94.65 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 120.807 0.337 . . . . 0.0 110.642 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.502 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 7.6 tp10 -64.35 -47.21 80.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.889 176.626 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.525 HD11 ' HA ' ' A' ' 25' ' ' ALA . 25.5 mt -56.82 -40.77 76.61 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.821 -179.633 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.18 -45.5 91.48 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.757 0.313 . . . . 0.0 110.981 178.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 13.5 ttp180 -66.37 -41.66 89.12 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.063 178.575 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.579 ' HB3' HG22 ' A' ' 21' ' ' VAL . 97.7 mt -59.87 -45.45 92.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.789 0.328 . . . . 0.0 110.605 178.314 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -59.82 -42.87 94.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.271 178.17 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 64.8 mm-40 -66.67 -36.84 83.49 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.378 177.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -67.04 -37.59 84.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.737 -178.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.667 HD11 HG21 ' A' ' 21' ' ' VAL . 74.9 mt -56.94 -47.04 83.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.248 176.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.411 HG13 ' CG2' ' A' ' 78' ' ' ILE . 94.7 t -54.07 -48.18 65.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.889 179.517 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.42 ' HD3' ' HA ' ' A' ' 42' ' ' LYS . 51.2 mmtt -63.29 -45.67 90.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.767 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.03 -46.77 86.0 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.395 -177.432 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.514 ' O ' HG23 ' A' ' 48' ' ' VAL . 4.8 mt-10 -71.21 -35.74 71.63 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.416 -178.284 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.509 ' HG2' HD13 ' A' ' 78' ' ' ILE . 18.2 mmtm -59.23 -41.24 88.2 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 120.777 0.323 . . . . 0.0 111.333 176.24 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 47.1 tp60 -63.2 -40.65 98.11 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.43 -41.58 97.97 Favored Glycine 0 N--CA 1.451 -0.367 0 CA-C-N 115.716 -0.674 . . . . 0.0 112.057 177.582 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 44' ' ' GLU . 92.6 t -58.3 -47.45 87.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.555 0.217 . . . . 0.0 111.183 178.181 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 74.3 tttt -63.06 -45.67 91.07 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.71 -0.223 . . . . 0.0 111.574 -176.703 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 33.8 m -69.72 -30.59 45.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 120.72 0.295 . . . . 0.0 110.996 -179.321 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.421 ' HE1' ' HB3' ' A' ' 7' ' ' LEU . 5.5 m-30 -68.06 -39.95 82.89 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 174.665 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.447 ' CG ' HD11 ' A' ' 71' ' ' LEU . 25.7 mtpp -60.71 -38.85 86.45 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.034 176.239 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -57.11 -47.42 81.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.582 177.553 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.05 -38.67 66.4 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.771 179.073 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.91 -47.97 70.11 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -176.063 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -75.41 -7.51 54.26 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.932 0.396 . . . . 0.0 111.494 -179.273 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -120.44 20.75 11.83 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.506 178.092 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -79.62 130.41 35.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.265 0.555 . . . . 0.0 112.113 -173.762 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 60.4 ttt180 -93.92 -31.27 14.36 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.459 175.8 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -99.07 116.65 65.08 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.327 -179.088 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -68.15 -32.89 26.32 Favored 'Trans proline' 0 C--O 1.234 0.318 0 C-N-CA 122.954 2.436 . . . . 0.0 112.913 -176.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -64.24 -45.37 88.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.88 -175.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -75.81 -31.51 59.44 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.767 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -64.87 -36.82 85.58 Favored 'General case' 0 C--O 1.221 -0.429 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 179.226 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.78 -44.9 90.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.867 0.365 . . . . 0.0 110.234 177.235 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 54.3 t -62.98 -50.07 81.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.485 178.431 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 80.8 mt -61.32 -44.9 99.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.808 179.362 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -56.07 -48.94 75.11 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 123.046 0.538 . . . . 0.0 111.292 -176.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.487 ' HA ' ' HE3' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -67.82 -44.6 76.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.814 -178.582 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.467 HG23 ' ND1' ' A' ' 107' ' ' HIS . 31.4 mt -68.66 -38.39 78.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.677 0.275 . . . . 0.0 111.059 -179.704 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.447 HD11 ' CG ' ' A' ' 52' ' ' LYS . 6.7 tt -56.29 -49.08 75.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.454 0.645 . . . . 0.0 109.625 174.017 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -64.37 -39.03 93.08 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.989 -179.481 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.45 ' HB3' ' CE1' ' A' ' 107' ' ' HIS . 0.8 OUTLIER -66.47 -44.21 83.33 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.422 178.487 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -60.93 -38.63 86.49 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.109 -0.951 . . . . 0.0 110.619 -175.672 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -69.9 -35.0 74.26 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-O 121.291 0.567 . . . . 0.0 110.173 175.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -63.95 -33.31 75.44 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.398 178.68 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.413 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 62.5 m170 -60.16 -48.33 82.18 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.304 0.573 . . . . 0.0 110.376 176.137 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.509 HD13 ' HG2' ' A' ' 45' ' ' LYS . 73.7 mt -64.26 -42.24 94.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.663 -177.345 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -57.7 -40.37 79.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.552 175.173 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 25.2 t-105 -67.2 -51.12 57.3 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -56.04 -40.08 72.96 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 120.757 0.313 . . . . 0.0 111.188 178.385 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 26.2 ttmt -63.08 -48.19 79.69 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.801 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.08 -29.91 65.89 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.709 -176.505 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.41 0 CA-C-O 120.918 0.39 . . . . 0.0 111.326 -178.861 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.236 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -69.82 -48.98 56.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.861 0.362 . . . . 0.0 110.938 -173.172 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.444 ' O ' ' HG ' ' A' ' 96' ' ' LEU . 77.0 mt-30 -69.49 -35.62 75.74 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.308 0.575 . . . . 0.0 110.087 177.586 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.502 ' O ' HG23 ' A' ' 97' ' ' VAL . 55.4 t80 -62.69 -45.52 92.4 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.024 -0.989 . . . . 0.0 111.169 -177.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.15 -36.96 83.4 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.8 0.333 . . . . 0.0 110.942 179.009 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 17.6 m -64.4 -35.83 82.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.733 178.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 92' ' ' GLN . 94.2 mt -68.66 -35.78 77.69 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.594 178.432 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 93' ' ' PHE . 57.4 t -62.7 -38.53 81.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.018 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -60.19 -38.15 82.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.816 0.341 . . . . 0.0 111.006 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -70.27 -42.39 72.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.421 -179.569 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' HIS . . . . . 0.432 ' O ' ' HG2' ' A' ' 104' ' ' GLU . 4.3 t-160 -63.27 -43.43 97.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.787 178.368 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.466 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 44.3 tp -61.53 -48.12 82.46 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.319 -178.512 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -60.27 -41.16 92.69 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-O 121.288 0.566 . . . . 0.0 110.416 178.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -61.1 -49.13 78.55 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.301 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' A' ' 100' ' ' HIS . 18.4 mm-40 -65.99 -26.84 67.73 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.205 -177.064 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.466 ' HG3' ' O ' ' A' ' 101' ' ' LEU . 78.3 mt-30 -60.88 -46.64 89.81 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 175.123 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 31.3 mmm180 -66.8 -31.81 72.68 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.268 178.033 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.505 ' O ' HG12 ' A' ' 111' ' ' ILE . 10.7 m170 -59.33 -50.87 72.34 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.975 0.417 . . . . 0.0 110.128 175.245 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 95.5 t -67.79 -43.33 86.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.393 -178.649 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.456 ' HG3' ' O ' ' A' ' 105' ' ' GLN . 46.2 mt-10 -58.85 -35.63 73.24 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 120.799 0.333 . . . . 0.0 110.974 179.08 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 19.8 tp10 -71.71 -45.03 63.11 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.708 178.133 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.505 HG12 ' O ' ' A' ' 107' ' ' HIS . 33.4 mm -62.28 -60.67 2.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-O 121.04 0.448 . . . . 0.0 111.067 179.65 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 . . . . . 0 N--CA 1.444 -0.753 0 CA-C-O 121.475 0.655 . . . . 0.0 110.686 -170.466 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 22.3 mt . . . . . 0 CA--C 1.529 0.17 0 CA-C-O 120.677 0.275 . . . . 0.0 111.518 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 80.2 mt -63.57 -30.87 71.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.03 0.443 . . . . 0.0 111.477 -176.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -60.91 -33.49 73.21 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.847 -176.682 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.06 -46.43 87.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.772 -0.195 . . . . 0.0 111.482 -178.463 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -66.2 -37.28 85.21 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.791 0.329 . . . . 0.0 110.219 177.611 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 78.2 mm-40 -61.75 -43.09 99.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.342 175.129 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -62.73 -43.12 99.62 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.184 178.134 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.56 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -59.89 -47.64 90.01 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.557 -0.83 . . . . 0.0 111.992 179.201 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 76.5 mt -64.47 -41.35 92.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.143 0.496 . . . . 0.0 110.074 178.484 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.406 ' HA ' ' HD3' ' A' ' 19' ' ' LYS . 87.9 tttt -57.13 -45.71 83.28 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.145 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.47 ' O ' HG23 ' A' ' 21' ' ' VAL . 67.2 mt -69.51 -40.29 79.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.789 178.787 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.56 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 95.2 mt -58.2 -42.47 86.22 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 120.911 0.386 . . . . 0.0 110.58 177.106 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.406 ' HD3' ' HA ' ' A' ' 16' ' ' LYS . 53.8 mtpt -56.72 -36.94 70.29 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.174 175.103 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -69.91 -39.99 75.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.394 177.591 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.473 HG21 HD11 ' A' ' 40' ' ' ILE . 60.0 t -60.45 -39.77 82.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.121 177.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 95.9 mt -55.94 -41.94 75.42 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 177.48 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.7 mmmt -72.22 -46.78 54.7 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.093 179.053 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.599 ' HG2' ' HG2' ' A' ' 32' ' ' GLU . 1.6 mptm? -72.48 -18.2 61.69 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -175.38 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.62 98.42 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.831 0.348 . . . . 0.0 110.575 176.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -72.07 -19.67 61.78 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.782 -179.053 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.493 ' HG2' ' HA ' ' A' ' 24' ' ' LYS . 33.1 mm-40 -62.07 -26.59 68.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.969 0.414 . . . . 0.0 110.453 177.42 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 74.75 30.71 59.32 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.961 -0.637 . . . . 0.0 112.447 178.742 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.411 ' OD2' ' HB3' ' A' ' 31' ' ' GLN . 22.9 t70 -121.92 120.66 35.12 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.066 0.46 . . . . 0.0 110.592 -179.408 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -87.26 -18.53 30.01 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.72 -175.645 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.411 ' HB3' ' OD2' ' A' ' 29' ' ' ASP . 55.7 tt0 -63.08 -47.74 81.62 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.029 176.082 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.599 ' HG2' ' HG2' ' A' ' 24' ' ' LYS . 3.9 tp10 -65.17 -42.66 93.46 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.44 175.249 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 76.4 mt -56.75 -44.03 81.34 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.118 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.74 -44.82 96.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.657 178.277 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -59.6 -49.94 75.79 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.087 177.784 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.551 ' O ' HG13 ' A' ' 40' ' ' ILE . 88.4 mt -63.01 -44.32 96.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.726 -179.084 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.487 ' HA ' HD12 ' A' ' 40' ' ' ILE . 6.6 t30 -57.96 -40.56 80.87 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.715 -179.073 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -68.74 -39.57 80.27 Favored 'General case' 0 N--CA 1.437 -1.122 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.057 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -66.8 -32.23 73.38 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.648 -0.251 . . . . 0.0 110.788 178.139 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.551 HG13 ' O ' ' A' ' 36' ' ' LEU . 87.9 mt -57.79 -49.64 80.24 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.121 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 173.475 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.492 HG22 HG23 ' A' ' 78' ' ' ILE . 95.4 t -56.52 -46.55 82.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.872 177.074 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -62.54 -44.45 96.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.271 -179.041 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.73 -47.19 63.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.4 -177.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.484 ' O ' HG23 ' A' ' 48' ' ' VAL . 42.7 mt-10 -66.33 -41.32 89.8 Favored 'General case' 0 C--O 1.223 -0.327 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.906 -177.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.537 ' HA ' ' HB ' ' A' ' 48' ' ' VAL . 49.6 mttt -69.72 -28.57 65.93 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 178.656 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 22.2 tp60 -59.39 -42.28 91.35 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 170.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -68.83 -45.62 63.77 Favored Glycine 0 N--CA 1.45 -0.432 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.967 173.714 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.537 ' HB ' ' HA ' ' A' ' 45' ' ' LYS . 69.1 t -54.18 -38.26 38.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.506 0.193 . . . . 0.0 110.827 177.308 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 49.4 tptt -56.93 -52.4 65.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.024 -179.412 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 16.9 m -72.51 -35.33 50.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.959 -178.66 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -72.12 -37.35 69.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.767 -0.197 . . . . 0.0 111.513 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.506 ' HE2' HD11 ' A' ' 71' ' ' LEU . 33.4 ttmt -65.85 -32.52 74.09 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.162 0.506 . . . . 0.0 110.033 178.178 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.84 -44.53 76.97 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.594 173.466 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.01 -32.53 69.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.143 -0.935 . . . . 0.0 112.442 -176.522 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.425 ' O ' ' HG2' ' A' ' 64' ' ' ARG . . . -58.1 -37.73 75.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.088 0.47 . . . . 0.0 111.856 -177.44 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -91.31 8.88 33.84 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.451 -178.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.432 ' HE3' ' HB2' ' A' ' 57' ' ' LYS . 34.2 ttmt -144.95 26.5 1.36 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.611 0.72 . . . . 0.0 109.914 -174.413 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.96 -13.76 59.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.43 -0.805 . . . . 0.0 112.381 -174.002 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 54.8 mmm-85 71.58 -63.26 0.43 Allowed 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.196 0.598 . . . . 0.0 111.509 178.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -88.24 141.5 30.96 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.952 -178.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_endo -58.94 -36.0 97.62 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.828 2.352 . . . . 0.0 112.433 178.61 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.42 ' O ' HG23 ' A' ' 66' ' ' VAL . 47.2 tt0 -64.4 -44.78 90.2 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-O 120.848 0.356 . . . . 0.0 110.296 179.313 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -62.76 -42.85 99.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.828 178.751 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.444 ' NH1' ' HB2' ' A' ' 68' ' ' ASP . 0.1 OUTLIER -60.68 -41.65 95.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.512 -178.515 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.69 -45.43 65.01 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.328 -179.681 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 62' ' ' GLU . 79.7 t -62.06 -48.19 89.64 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-O 120.825 0.345 . . . . 0.0 110.927 -178.305 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 78.7 mt -61.8 -40.75 88.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.551 179.527 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.444 ' HB2' ' NH1' ' A' ' 64' ' ' ARG . 24.1 t70 -63.08 -45.08 93.8 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.792 0.33 . . . . 0.0 111.059 -178.823 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 50.5 tttp -58.76 -46.54 87.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.748 -179.519 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.432 HG23 ' ND1' ' A' ' 107' ' ' HIS . 22.9 mt -72.77 -38.61 58.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.311 179.422 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.506 HD11 ' HE2' ' A' ' 52' ' ' LYS . 2.1 tm? -58.92 -48.64 80.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.878 0.371 . . . . 0.0 110.179 179.309 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -65.02 -36.69 85.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.255 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.459 ' HB3' ' CE1' ' A' ' 107' ' ' HIS . 0.9 OUTLIER -70.92 -41.51 71.1 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.482 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.4 ' HB2' ' O ' ' A' ' 70' ' ' ILE . 1.5 tp10 -63.97 -41.61 97.5 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.19 -177.092 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -66.86 -34.55 78.05 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 121.362 0.601 . . . . 0.0 109.682 175.151 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.451 ' HB3' ' O ' ' A' ' 73' ' ' ASP . 31.9 ttmt -63.5 -40.31 96.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.756 177.416 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.501 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 56.3 m170 -61.07 -47.73 85.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.614 0.721 . . . . 0.0 109.764 177.731 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.515 ' CD1' ' HG3' ' A' ' 45' ' ' LYS . 76.7 mt -64.21 -44.76 97.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 114.786 -1.097 . . . . 0.0 112.062 -175.525 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.45 ' HG2' ' HA ' ' A' ' 76' ' ' LYS . 4.6 pt-20 -64.01 -32.02 73.42 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.21 178.207 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 22.7 t-105 -68.18 -54.12 20.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.082 177.32 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 37.1 m-70 -60.27 -39.13 85.75 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.232 -0.44 . . . . 0.0 112.041 178.702 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 51.6 tptt -60.63 -42.93 97.87 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.675 0.274 . . . . 0.0 110.764 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.01 -43.03 79.76 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.237 -178.697 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.506 -177.622 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.389 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -68.77 -47.81 65.27 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 -167.57 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.447 ' O ' ' HG ' ' A' ' 96' ' ' LEU . 2.0 mp0 -67.86 -33.75 75.37 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.984 0.421 . . . . 0.0 110.085 -178.495 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.466 ' O ' HG23 ' A' ' 97' ' ' VAL . 72.6 t80 -55.7 -38.36 69.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.786 175.196 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.77 -38.56 88.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.9 178.525 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 35.6 m -68.47 -33.23 73.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.452 177.412 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.463 HD12 ' HA ' ' A' ' 93' ' ' PHE . 85.3 mt -65.42 -34.24 77.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.545 178.551 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 93' ' ' PHE . 49.2 t -64.78 -37.07 79.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.322 177.537 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -62.49 -38.36 89.6 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 176.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -63.92 -41.82 97.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.948 0.404 . . . . 0.0 110.201 177.732 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' HIS . . . . . 0.501 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 4.3 t-160 -65.47 -42.97 91.67 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.903 179.503 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.474 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 0.2 OUTLIER -58.31 -46.83 85.41 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.931 178.719 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -68.13 -35.6 78.36 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.895 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -65.96 -47.38 74.78 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.994 -177.546 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.425 ' O ' HG23 ' A' ' 108' ' ' VAL . 40.9 mm-40 -64.62 -24.48 67.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.608 0.242 . . . . 0.0 110.796 -177.371 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.474 ' HG3' ' O ' ' A' ' 101' ' ' LEU . 77.9 mt-30 -64.17 -37.24 86.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.972 0.415 . . . . 0.0 109.945 175.225 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 4.4 tpm_? -66.71 -38.69 87.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.396 174.491 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.603 ' O ' HG13 ' A' ' 111' ' ' ILE . 17.0 m170 -60.22 -49.87 75.9 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.129 177.003 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 104' ' ' GLU . 76.0 t -59.57 -43.18 90.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.56 -179.368 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -63.1 -34.04 76.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.788 0.328 . . . . 0.0 111.284 178.611 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.74 -34.17 73.45 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.879 177.423 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.603 HG13 ' O ' ' A' ' 107' ' ' HIS . 44.5 mt -81.23 -60.32 2.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.512 -177.506 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 . . . . . 0 C--N 1.332 -0.172 0 CA-C-O 121.62 0.724 . . . . 0.0 110.741 -175.614 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.559 ' HB3' ' HE1' ' A' ' 51' ' ' TYR . 72.7 mt . . . . . 0 C--O 1.231 0.085 0 N-CA-C 111.651 0.241 . . . . 0.0 111.651 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 95.8 mt -62.66 -31.59 72.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.817 0.342 . . . . 0.0 111.595 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -61.1 -34.44 74.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.577 -177.671 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.78 -47.11 85.85 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.871 0.323 . . . . 0.0 111.871 -176.26 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.433 ' O ' HG13 ' A' ' 15' ' ' ILE . 6.0 tp10 -68.98 -41.51 77.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.948 0.404 . . . . 0.0 110.001 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -60.01 -42.99 95.51 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.232 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 57.1 tp60 -61.19 -43.67 98.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.62 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.499 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -59.91 -46.0 94.88 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.872 -0.68 . . . . 0.0 111.918 178.017 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.512 ' HA ' HD12 ' A' ' 18' ' ' LEU . 67.8 mt -62.25 -39.39 83.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.862 0.363 . . . . 0.0 110.888 179.308 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? -61.17 -46.21 91.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.073 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 64.4 mt -64.68 -37.6 80.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.75 179.012 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.538 ' HB3' HD21 ' A' ' 101' ' ' LEU . 95.7 mt -57.87 -37.6 74.22 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.123 177.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -62.99 -36.39 83.36 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.092 179.122 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -72.27 -35.08 68.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.166 0.507 . . . . 0.0 109.938 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.658 HG21 HD11 ' A' ' 40' ' ' ILE . 99.4 t -63.1 -39.6 85.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.917 178.064 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 95.9 mt -55.73 -35.66 66.38 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.824 177.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -71.16 -47.49 57.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.501 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 64.2 mmtt -69.04 -28.63 66.72 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.823 -177.237 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.88 -40.81 95.7 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.004 0.431 . . . . 0.0 110.612 177.643 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -72.78 -25.8 61.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.661 177.262 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -70.33 -42.62 71.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.962 0.41 . . . . 0.0 110.018 173.512 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.49 33.35 9.38 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.933 -0.651 . . . . 0.0 113.041 174.268 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.447 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 11.6 t70 -103.01 100.51 10.45 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 175.067 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -70.59 -20.72 62.74 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.444 -174.354 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -70.33 -48.56 55.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.079 0.466 . . . . 0.0 109.941 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.44 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 48.7 mt-10 -67.49 -38.37 84.25 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.387 176.852 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 75.2 mt -58.53 -44.1 89.45 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.264 178.442 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.05 -41.72 98.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.868 178.311 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 63.9 ttt180 -67.03 -38.55 86.11 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 120.7 0.286 . . . . 0.0 110.65 177.192 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.543 ' O ' HG13 ' A' ' 40' ' ' ILE . 87.5 mt -61.83 -40.32 94.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.249 176.786 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.523 ' O ' HG23 ' A' ' 41' ' ' VAL . 81.9 m-20 -55.74 -46.99 77.68 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.29 175.542 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -58.69 -44.74 90.38 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.127 176.322 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 27.6 tp10 -63.85 -38.96 93.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.312 -178.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.658 HD11 HG21 ' A' ' 21' ' ' VAL . 85.9 mt -61.99 -49.12 85.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.368 176.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.587 HG22 HG23 ' A' ' 78' ' ' ILE . 93.4 t -53.78 -45.0 61.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.968 178.795 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.469 ' HE2' ' O ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -61.89 -43.26 99.22 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.477 179.645 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.67 -46.91 65.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.664 -177.78 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.44 ' O ' HG23 ' A' ' 48' ' ' VAL . 43.1 mt-10 -68.06 -40.39 82.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.148 -177.282 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.55 ' HG3' HD13 ' A' ' 78' ' ' ILE . 50.8 mttm -62.59 -30.16 71.13 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 116.76 -0.2 . . . . 0.0 111.482 178.177 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 58.3 tp60 -59.29 -43.0 92.59 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 176.675 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -69.66 -47.03 51.55 Favored Glycine 0 N--CA 1.448 -0.552 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.939 175.448 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.462 HG11 ' HG2' ' A' ' 75' ' ' GLU . 96.4 t -56.47 -42.56 75.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.68 0.276 . . . . 0.0 111.44 -179.142 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.7 tmtt? -61.53 -50.63 71.92 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.945 -177.373 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 19.4 m -69.66 -31.02 47.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.992 -178.333 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.559 ' HE1' ' HB3' ' A' ' 7' ' ' LEU . 21.0 m-30 -70.16 -44.22 69.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.358 177.205 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.708 ' HG3' HD21 ' A' ' 71' ' ' LEU . 51.0 mttm -61.61 -40.44 94.83 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.311 179.632 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -67.06 -44.94 78.85 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.465 -178.785 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.07 -32.44 65.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.363 -178.169 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.39 -42.37 73.93 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 112.462 0.542 . . . . 0.0 112.462 -173.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -71.49 -19.81 62.15 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.677 0.275 . . . . 0.0 111.357 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 49.6 mttp -106.41 17.39 23.45 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.811 0.339 . . . . 0.0 111.515 -177.382 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -74.0 130.02 39.03 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.214 176.502 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.7 mpt_? -88.73 23.52 2.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.902 0.382 . . . . 0.0 110.943 -177.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.512 ' HB3' ' HB2' ' A' ' 63' ' ' LYS . 34.1 t-20 -161.72 124.8 1.83 Allowed Pre-proline 0 C--N 1.322 -0.598 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 -178.048 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.461 ' O ' ' HG2' ' A' ' 65' ' ' GLN . 17.4 Cg_endo -57.49 -47.78 20.26 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.892 2.395 . . . . 0.0 112.787 -176.738 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.416 ' O ' HG23 ' A' ' 66' ' ' VAL . 30.5 mt-10 -67.49 -34.72 77.73 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 121.024 -0.27 . . . . 0.0 110.496 -179.66 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.512 ' HB2' ' HB3' ' A' ' 60' ' ' ASN . 29.2 mmtp -59.08 -39.62 82.7 Favored 'General case' 0 CA--C 1.518 -0.261 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 175.193 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 21.2 ttt180 -68.39 -49.58 59.08 Favored 'General case' 0 C--O 1.219 -0.524 0 C-N-CA 120.451 -0.5 . . . . 0.0 110.287 175.04 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.461 ' HG2' ' O ' ' A' ' 61' ' ' PRO . 17.2 mm-40 -59.38 -36.82 76.48 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -172.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 62' ' ' GLU . 62.5 t -59.32 -50.45 79.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.025 0.44 . . . . 0.0 110.214 176.4 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 66.8 mt -69.94 -43.19 79.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.773 178.702 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.437 ' O ' ' HG2' ' A' ' 72' ' ' GLU . 16.9 t70 -57.07 -45.66 83.09 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 123.348 0.659 . . . . 0.0 111.805 -174.798 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -59.27 -46.08 89.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.318 0.58 . . . . 0.0 110.514 -179.518 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.586 HG23 ' ND1' ' A' ' 107' ' ' HIS . 65.4 mt -71.76 -37.8 63.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.909 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.708 HD21 ' HG3' ' A' ' 52' ' ' LYS . 5.2 tt -56.8 -51.87 67.28 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.447 178.098 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 68' ' ' ASP . 4.8 mm-40 -69.25 -35.06 75.71 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.915 -178.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.461 ' HB3' ' CE1' ' A' ' 107' ' ' HIS . 0.6 OUTLIER -61.41 -40.28 93.81 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.762 176.096 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.4 ' HB3' HG22 ' A' ' 48' ' ' VAL . 3.0 tp10 -67.66 -41.42 83.81 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.554 -175.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.629 ' HA ' ' OE1' ' A' ' 75' ' ' GLU . 1.3 mm-40 -65.13 -34.68 78.98 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.159 0.505 . . . . 0.0 110.173 172.81 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.436 ' HB3' ' O ' ' A' ' 73' ' ' ASP . 59.5 tttm -61.89 -37.11 83.35 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.63 176.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.504 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 62.9 m170 -61.91 -44.65 96.35 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 121.442 0.639 . . . . 0.0 110.333 177.412 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.587 HG23 HG22 ' A' ' 41' ' ' VAL . 94.3 mt -63.9 -41.99 94.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.043 -0.98 . . . . 0.0 110.988 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -60.71 -37.57 82.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.868 0.366 . . . . 0.0 110.294 173.779 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.488 ' HB3' ' O ' ' A' ' 77' ' ' HIS . 29.6 t-105 -61.59 -56.98 14.07 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.91 178.214 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 25.1 m-70 -61.16 -40.24 93.11 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -178.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp -65.41 -40.3 93.21 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.757 0.313 . . . . 0.0 111.029 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.17 -31.98 68.34 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.879 0.371 . . . . 0.0 110.876 178.711 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.767 -179.107 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -69.38 -43.94 72.49 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 120.672 0.272 . . . . 0.0 110.774 -178.646 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.576 ' O ' ' HG ' ' A' ' 96' ' ' LEU . 31.6 mm-40 -63.32 -44.26 95.47 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 177.347 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.525 ' O ' HG23 ' A' ' 97' ' ' VAL . 68.2 t80 -61.72 -44.82 96.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.867 -178.412 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.23 -41.63 79.88 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.092 178.671 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 17.7 m -63.82 -38.99 93.16 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.664 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.576 ' HG ' ' O ' ' A' ' 92' ' ' GLN . 68.3 mt -72.0 -37.26 69.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.027 -178.58 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 93' ' ' PHE . 62.3 t -67.63 -35.89 74.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.43 177.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -59.32 -34.76 72.72 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.674 178.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -63.47 -40.89 98.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.03 0.443 . . . . 0.0 110.084 177.003 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' HIS . . . . . 0.504 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 5.4 t-160 -61.98 -41.81 98.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.791 178.631 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.538 HD21 ' HB3' ' A' ' 18' ' ' LEU . 3.8 mm? -59.74 -48.22 82.53 Favored 'General case' 0 C--O 1.231 0.094 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.288 178.614 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -61.4 -40.08 93.08 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 121.059 0.457 . . . . 0.0 110.833 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -62.89 -49.13 76.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.29 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -66.99 -25.05 66.12 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.381 -176.037 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.492 ' HG3' ' O ' ' A' ' 101' ' ' LEU . 80.7 mt-30 -61.49 -45.72 93.05 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 176.749 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 25.5 ttt85 -68.56 -31.71 71.12 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.206 176.504 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.688 ' O ' HG13 ' A' ' 111' ' ' ILE . 7.3 m170 -57.51 -50.86 71.69 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.198 179.189 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 70.8 t -58.97 -37.89 70.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.802 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.417 ' HG3' ' O ' ' A' ' 105' ' ' GLN . 46.5 mt-10 -63.48 -48.31 78.17 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.949 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.563 ' HB2' HD11 ' A' ' 70' ' ' ILE . 25.5 mt-10 -71.6 -29.57 64.84 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.847 -176.126 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.688 HG13 ' O ' ' A' ' 107' ' ' HIS . 73.2 mt -64.66 -77.6 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-O 120.694 0.283 . . . . 0.0 111.587 -179.711 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.402 ' HG2' ' H ' ' A' ' 112' ' ' GLU . 9.3 pt-20 . . . . . 0 C--N 1.33 -0.259 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -171.357 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 76.3 mt . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.966 0.412 . . . . 0.0 110.762 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.416 ' O ' ' HG2' ' A' ' 12' ' ' GLN . 66.6 mt -60.0 -46.7 88.61 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.57 -179.118 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.475 ' HG2' ' OE1' ' A' ' 13' ' ' GLN . 18.7 ttpp -59.43 -37.1 77.22 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.186 -176.846 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.56 -46.96 74.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.289 -177.438 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.427 ' O ' HG12 ' A' ' 15' ' ' ILE . 6.1 mm-40 -68.71 -38.0 79.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.539 -0.301 . . . . 0.0 110.4 179.265 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.416 ' HG2' ' O ' ' A' ' 8' ' ' LEU . 85.5 mm-40 -62.91 -36.84 84.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.812 177.344 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.475 ' OE1' ' HG2' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -65.51 -44.68 86.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.591 176.502 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.536 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -59.17 -46.6 93.55 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.547 -0.835 . . . . 0.0 111.618 176.841 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.427 HG12 ' O ' ' A' ' 11' ' ' GLU . 41.1 mm -58.62 -44.8 90.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.752 0.31 . . . . 0.0 110.375 176.655 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.9 mmmt -56.09 -44.47 79.06 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.467 -178.714 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.537 ' O ' HG23 ' A' ' 21' ' ' VAL . 56.8 mt -69.33 -42.82 81.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.548 178.299 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.572 ' HB3' HD21 ' A' ' 101' ' ' LEU . 94.7 mt -57.52 -37.1 72.48 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.312 -179.545 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.402 ' HG2' ' O ' ' A' ' 15' ' ' ILE . 55.1 mmtt -56.69 -45.56 81.72 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.113 0.482 . . . . 0.0 110.849 177.744 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -74.33 -34.2 63.37 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.053 -176.322 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.617 HG21 HD11 ' A' ' 40' ' ' ILE . 86.2 t -59.98 -41.07 84.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.854 178.725 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 97.7 mt -56.99 -35.34 69.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.118 0.485 . . . . 0.0 110.633 178.038 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -72.16 -46.8 54.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.756 178.477 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.458 ' HD3' ' HA ' ' A' ' 24' ' ' LYS . 70.0 mmtt -73.15 -26.98 61.41 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.928 -175.242 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.87 -35.65 78.9 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.273 0.559 . . . . 0.0 109.731 173.66 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -72.52 -20.42 61.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.396 179.494 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -84.97 -22.03 29.32 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.753 175.66 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 70.06 38.96 73.92 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.953 -0.642 . . . . 0.0 111.903 -177.001 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -102.52 107.13 17.98 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.777 0.322 . . . . 0.0 110.51 -177.61 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -69.04 -32.05 71.26 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.864 -177.74 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -70.27 -45.94 65.36 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-O 120.864 0.364 . . . . 0.0 110.406 -177.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -64.73 -44.13 91.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.345 176.023 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 28.8 mt -59.86 -41.35 91.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.44 178.512 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.78 -45.27 90.47 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.746 0.308 . . . . 0.0 110.981 179.596 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.9 ttm-85 -62.84 -48.69 77.99 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.294 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.596 ' O ' HG13 ' A' ' 40' ' ' ILE . 91.1 mt -64.19 -45.67 87.33 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.018 -179.107 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.442 ' HA ' HD12 ' A' ' 40' ' ' ILE . 64.0 t30 -58.04 -44.3 87.3 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.172 0.51 . . . . 0.0 110.354 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.456 ' O ' ' HG2' ' A' ' 42' ' ' LYS . 1.1 mm-40 -61.46 -44.01 97.86 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.176 178.848 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -71.49 -29.38 64.75 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.82 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.617 HD11 HG21 ' A' ' 21' ' ' VAL . 87.0 mt -56.73 -49.07 79.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 172.413 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.3 t -55.57 -40.8 61.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.364 177.073 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.456 ' HG2' ' O ' ' A' ' 38' ' ' GLN . 33.6 mmtp -58.02 -47.24 83.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.498 177.625 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.88 -47.64 61.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.581 -176.258 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.494 ' O ' HG23 ' A' ' 48' ' ' VAL . 6.1 mm-40 -60.5 -46.3 90.63 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.442 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.607 ' HE2' HG21 ' A' ' 78' ' ' ILE . 69.6 mmtt -62.36 -42.84 99.72 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 120.782 0.325 . . . . 0.0 111.31 179.023 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 21.4 tm0? -63.89 -43.48 95.86 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 -179.271 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.64 -46.76 93.46 Favored Glycine 0 N--CA 1.447 -0.584 0 CA-C-N 115.663 -0.699 . . . . 0.0 112.069 177.087 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 44' ' ' GLU . 65.6 t -54.31 -40.49 48.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.751 0.31 . . . . 0.0 111.019 178.035 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.45 ' NZ ' ' HB2' ' A' ' 49' ' ' LYS . 0.1 OUTLIER -64.87 -42.28 94.97 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.581 -179.183 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 23.9 t -69.22 -37.01 75.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.082 0.468 . . . . 0.0 110.182 177.531 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.554 ' HB3' ' HG ' ' A' ' 71' ' ' LEU . 18.1 m-85 -64.72 -39.4 93.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.908 176.508 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.747 ' HD3' HD11 ' A' ' 71' ' ' LEU . 65.0 mmtt -58.19 -32.98 68.77 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 121.036 0.446 . . . . 0.0 110.533 176.064 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -67.51 -50.64 57.9 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.688 177.61 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.47 -46.97 44.98 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -176.428 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.42 -40.61 97.64 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.821 0.344 . . . . 0.0 111.882 -173.168 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -77.37 -0.85 27.24 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.78 0.324 . . . . 0.0 110.981 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -130.49 25.64 5.1 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.703 -178.403 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.416 ' HB3' ' HG3' ' A' ' 64' ' ' ARG . . . -74.72 156.86 36.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.306 -177.088 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 20.4 ttm-85 -90.47 -38.8 13.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.545 -173.517 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -122.89 135.47 25.84 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.204 -176.355 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -53.8 -47.7 25.74 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 123.059 2.506 . . . . 0.0 112.823 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -59.89 -42.62 94.2 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.842 0.353 . . . . 0.0 111.016 179.44 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 45.1 mtpt -72.21 -35.23 68.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.173 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.416 ' HG3' ' HB3' ' A' ' 58' ' ' ALA . 2.5 ttp180 -62.37 -41.62 98.77 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.914 177.396 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.52 -34.02 72.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.463 -178.528 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 57.6 t -64.27 -52.22 58.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 121.064 0.459 . . . . 0.0 110.214 176.408 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 57.8 mt -65.72 -39.09 83.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.674 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -60.19 -49.0 79.38 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.951 -177.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.483 ' O ' ' HB2' ' A' ' 73' ' ' ASP . 44.4 mttm -63.35 -41.09 98.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.609 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.472 HG23 ' ND1' ' A' ' 107' ' ' HIS . 38.5 mt -66.05 -38.68 82.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.931 0.396 . . . . 0.0 110.751 178.791 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.747 HD11 ' HD3' ' A' ' 52' ' ' LYS . 4.5 tt -60.5 -52.03 66.91 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.103 179.569 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.499 ' OE1' HD22 ' A' ' 71' ' ' LEU . 5.0 mm-40 -68.83 -33.13 73.32 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.329 -178.356 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.884 ' HA ' ' HE3' ' A' ' 76' ' ' LYS . 0.8 OUTLIER -60.74 -40.86 93.97 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.451 178.67 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.488 ' O ' HG13 ' A' ' 78' ' ' ILE . 1.2 tp10 -60.41 -36.92 79.26 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.68 -175.247 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.401 ' HA ' HD12 ' A' ' 78' ' ' ILE . 65.6 mm-40 -66.53 -39.46 88.63 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.689 0.281 . . . . 0.0 110.944 174.304 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.884 ' HE3' ' HA ' ' A' ' 73' ' ' ASP . 5.2 mtmp? -62.54 -32.48 73.44 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.909 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 48.5 m170 -64.16 -47.68 78.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.582 0.706 . . . . 0.0 109.844 174.321 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.607 HG21 ' HE2' ' A' ' 45' ' ' LYS . 73.3 mt -57.75 -36.96 57.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 114.575 -1.193 . . . . 0.0 111.194 -177.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -54.19 -38.61 65.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.802 178.455 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.595 ' HZ2' ' HA ' ' A' ' 93' ' ' PHE . 23.0 t-105 -71.22 -53.89 12.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.786 0.327 . . . . 0.0 110.713 177.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 74.6 m-70 -59.98 -35.24 74.58 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.733 -176.515 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 58.3 tttm -72.72 -36.08 67.7 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.877 0.37 . . . . 0.0 110.46 177.55 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.06 -32.76 73.33 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.935 0.398 . . . . 0.0 110.892 179.561 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.142 177.67 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.124 0 N-CA-C 112.289 0.478 . . . . 0.0 112.289 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -63.94 -50.0 70.36 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 121.091 -0.244 . . . . 0.0 111.526 -175.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -68.65 -35.07 76.77 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.178 0.513 . . . . 0.0 110.177 -179.399 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.595 ' HA ' ' HZ2' ' A' ' 80' ' ' TRP . 88.4 t80 -61.56 -52.29 65.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.342 178.312 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.81 -47.26 85.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.753 -177.256 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 30.9 m -60.38 -42.04 95.03 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.26 -178.716 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 9.5 mp -73.23 -33.06 65.11 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.771 0.285 . . . . 0.0 111.771 179.39 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 93' ' ' PHE . 58.5 t -64.68 -36.98 78.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.002 0.429 . . . . 0.0 110.135 175.648 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 23.9 tm0? -60.18 -33.46 72.25 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.171 176.299 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -68.87 -40.39 79.3 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 120.904 0.383 . . . . 0.0 110.462 174.481 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 7.9 t-160 -57.82 -37.76 74.36 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.585 176.685 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.572 HD21 ' HB3' ' A' ' 18' ' ' LEU . 3.3 mm? -60.08 -48.76 80.37 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.328 176.752 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.433 ' O ' ' HB2' ' A' ' 105' ' ' GLN . 54.9 mt-30 -64.83 -35.37 80.89 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 121.115 0.484 . . . . 0.0 110.817 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -66.28 -50.2 64.5 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.517 -179.419 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -69.51 -19.4 63.73 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.961 -0.296 . . . . 0.0 110.298 -177.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.55 ' HG3' ' O ' ' A' ' 101' ' ' LEU . 74.2 mt-30 -60.44 -46.97 88.12 Favored 'General case' 0 CA--C 1.517 -0.307 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 172.221 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 3.7 mmt180 -68.68 -32.18 71.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.497 177.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.623 ' O ' HG13 ' A' ' 111' ' ' ILE . 12.0 m170 -58.63 -50.9 72.16 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.998 0.428 . . . . 0.0 109.9 175.629 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 77.6 t -68.22 -43.55 84.7 Favored 'Isoleucine or valine' 0 C--O 1.236 0.382 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.717 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.461 ' HG2' ' O ' ' A' ' 105' ' ' GLN . 27.8 mm-40 -59.08 -35.69 73.81 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.741 0.305 . . . . 0.0 111.437 -178.491 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.22 -29.87 66.81 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.814 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.623 HG13 ' O ' ' A' ' 107' ' ' HIS . 18.3 mt -87.98 -73.1 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 N-CA-C 112.038 0.384 . . . . 0.0 112.038 -175.505 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 . . . . . 0 C--O 1.234 0.248 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 -167.48 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 63.2 mt . . . . . 0 N--CA 1.464 0.245 0 CA-C-O 120.504 0.192 . . . . 0.0 111.488 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 45.1 mt -65.6 -48.62 71.65 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.853 0.359 . . . . 0.0 111.005 177.574 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 13' ' ' GLN . 22.4 pttp -71.5 -32.72 68.53 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.691 -0.403 . . . . 0.0 111.497 -177.022 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.61 -47.3 70.06 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.564 0.209 . . . . 0.0 111.564 -179.016 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -66.81 -50.06 63.81 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.063 0.458 . . . . 0.0 110.041 -179.615 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -61.46 -31.69 71.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.95 178.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.464 ' O ' HG13 ' A' ' 17' ' ' ILE . 63.1 tt0 -59.12 -46.17 89.02 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 177.664 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.504 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -60.57 -45.56 96.08 Favored Glycine 0 N--CA 1.448 -0.511 0 N-CA-C 111.321 -0.712 . . . . 0.0 111.321 177.002 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.573 ' HA ' HD12 ' A' ' 18' ' ' LEU . 71.8 mt -59.19 -42.46 86.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.791 0.329 . . . . 0.0 111.014 177.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -62.36 -40.93 98.04 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.978 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.497 HD13 ' HB3' ' A' ' 39' ' ' GLU . 62.0 mt -69.37 -36.4 71.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.392 177.583 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.573 HD12 ' HA ' ' A' ' 15' ' ' ILE . 98.4 mt -57.8 -37.33 73.55 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.53 175.73 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -58.74 -38.04 77.51 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.072 177.491 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -67.34 -40.18 85.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.241 177.673 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.499 HG21 HD11 ' A' ' 40' ' ' ILE . 58.0 t -61.96 -41.27 90.29 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.359 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.86 -179.644 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 96.3 mt -55.75 -41.32 73.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.778 0.323 . . . . 0.0 111.584 -178.164 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -73.81 -39.68 63.9 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.914 0.388 . . . . 0.0 111.719 179.644 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.661 ' HG2' ' HG2' ' A' ' 32' ' ' GLU . 1.5 mptm? -83.67 -15.87 47.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.977 -175.461 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.51 ' HB1' ' HB2' ' A' ' 94' ' ' ALA . . . -56.97 -37.08 71.08 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.629 0.252 . . . . 0.0 111.467 178.83 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -72.5 -19.97 61.44 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.986 0.422 . . . . 0.0 110.564 178.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -78.36 -53.65 7.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.975 178.337 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.0 18.7 64.55 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.959 -0.639 . . . . 0.0 112.91 177.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -71.35 125.06 25.99 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.894 0.378 . . . . 0.0 110.359 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -69.2 -38.73 78.77 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.674 -0.693 . . . . 0.0 111.879 -173.433 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -69.63 -43.29 72.98 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.977 0.417 . . . . 0.0 110.671 -178.24 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.661 ' HG2' ' HG2' ' A' ' 24' ' ' LYS . 6.5 tp10 -60.58 -49.23 78.35 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.002 173.79 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 33' ' ' LEU . 18.9 mt -61.02 -39.52 90.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.612 -179.513 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.9 -46.11 90.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.558 0.218 . . . . 0.0 110.926 179.369 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 36.0 ttt180 -63.18 -49.95 72.28 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-O 120.892 0.377 . . . . 0.0 111.236 178.025 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.489 ' O ' HG13 ' A' ' 40' ' ' ILE . 93.8 mt -62.77 -45.78 91.09 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.778 -176.237 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.474 ' O ' HG23 ' A' ' 41' ' ' VAL . 66.8 t30 -59.57 -47.68 84.61 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.14 -179.605 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.41 -45.74 93.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.753 -179.773 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.497 ' HB3' HD13 ' A' ' 17' ' ' ILE . 30.5 mt-10 -65.44 -36.25 83.35 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 121.114 -0.235 . . . . 0.0 111.414 -177.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.499 HD11 HG21 ' A' ' 21' ' ' VAL . 97.0 mt -60.61 -49.26 85.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 175.814 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 37' ' ' ASN . 90.1 t -55.45 -42.02 65.7 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.23 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 26.6 mtmm -62.69 -41.8 99.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.625 0.25 . . . . 0.0 110.999 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.14 -47.14 68.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.554 -178.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.453 ' O ' HG23 ' A' ' 48' ' ' VAL . 7.9 mm-40 -58.2 -46.76 85.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.28 178.51 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.539 ' HE2' HG21 ' A' ' 78' ' ' ILE . 62.5 mmtt -62.49 -39.98 95.22 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.952 -178.434 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.424 ' O ' HG23 ' A' ' 50' ' ' VAL . 58.3 tp60 -60.82 -44.37 97.01 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.881 -0.415 . . . . 0.0 109.881 179.609 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.7 -47.89 85.61 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.583 -0.818 . . . . 0.0 111.908 177.252 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.501 HG13 ' HG ' ' A' ' 71' ' ' LEU . 82.9 t -56.97 -44.01 81.79 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 CA-C-O 120.748 0.308 . . . . 0.0 110.983 179.062 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.7 tmtt? -57.73 -46.0 85.03 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.539 -178.76 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 46' ' ' GLN . 43.4 t -69.13 -42.91 81.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.743 179.754 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -59.04 -47.4 85.36 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.813 178.291 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.449 ' HB2' HD11 ' A' ' 71' ' ' LEU . 64.2 tttm -63.37 -44.02 95.98 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.917 0.389 . . . . 0.0 110.608 179.682 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -58.73 -47.35 84.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.902 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.01 -39.71 69.02 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.58 -179.342 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.35 -45.0 95.03 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -176.368 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -85.9 8.24 21.04 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.863 0.363 . . . . 0.0 111.132 -177.586 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -133.88 18.94 3.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.622 0.725 . . . . 0.0 109.355 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -84.99 172.38 11.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.428 -0.806 . . . . 0.0 111.234 -175.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 61.2 mtp180 -119.74 16.15 12.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.7 -178.508 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.465 ' HA ' ' HD3' ' A' ' 61' ' ' PRO . 28.5 t-20 -151.77 121.82 3.56 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.702 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' A' ' 60' ' ' ASN . 25.3 Cg_exo -63.57 -41.94 23.26 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 123.153 2.569 . . . . 0.0 113.205 -177.029 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.426 ' O ' ' HB3' ' A' ' 65' ' ' GLN . 6.7 tp10 -67.18 -40.51 86.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.079 0.466 . . . . 0.0 110.501 -174.811 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.482 ' HE2' ' HA ' ' A' ' 63' ' ' LYS . 0.1 OUTLIER -65.69 -38.87 90.45 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.755 177.599 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 19.0 ttp85 -61.34 -41.44 97.06 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.171 177.674 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.426 ' HB3' ' O ' ' A' ' 62' ' ' GLU . 0.7 OUTLIER -55.45 -43.65 75.62 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 123.732 0.813 . . . . 0.0 111.321 178.805 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 46.6 t -67.11 -46.56 84.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 120.86 0.362 . . . . 0.0 110.568 178.467 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 80.9 mt -61.54 -38.15 79.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.534 178.327 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -58.35 -46.64 85.88 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.495 178.333 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -66.02 -37.86 86.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.946 177.408 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.443 HD11 ' HG2' ' A' ' 110' ' ' GLU . 77.2 mt -61.81 -42.6 95.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 175.077 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.501 ' HG ' HG13 ' A' ' 48' ' ' VAL . 5.9 tt -63.35 -46.02 88.48 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.684 176.843 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -58.9 -41.76 88.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.376 179.421 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.516 ' HB3' ' CE1' ' A' ' 107' ' ' HIS . 43.1 t0 -68.98 -44.71 72.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.326 0.584 . . . . 0.0 110.438 178.273 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.498 ' HB3' HG22 ' A' ' 48' ' ' VAL . 2.5 tp10 -64.01 -39.88 95.09 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.346 -176.413 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.644 ' HA ' ' OE1' ' A' ' 75' ' ' GLU . 1.3 mm-40 -66.01 -35.1 79.66 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-O 120.916 0.388 . . . . 0.0 110.295 173.02 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.473 ' HB3' ' O ' ' A' ' 73' ' ' ASP . 88.1 tttt -60.96 -36.56 79.72 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.587 179.333 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.471 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 38.7 m170 -66.38 -48.53 69.84 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.632 0.729 . . . . 0.0 109.871 176.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.539 HG21 ' HE2' ' A' ' 45' ' ' LYS . 70.9 mt -58.86 -35.79 58.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 114.619 -1.173 . . . . 0.0 110.91 -178.445 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.522 ' HG3' ' O ' ' A' ' 75' ' ' GLU . 43.6 mt-10 -55.16 -41.04 71.33 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.551 0.215 . . . . 0.0 111.018 177.646 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 31.0 t-105 -68.24 -50.33 54.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.995 0.426 . . . . 0.0 110.544 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -63.79 -34.73 78.56 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.203 -179.32 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -72.4 -36.02 68.55 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.653 179.586 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.81 -29.86 68.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.718 178.33 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.182 175.385 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.178 0 N-CA-C 112.751 0.649 . . . . 0.0 112.751 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.04 -36.22 83.29 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 112.454 0.539 . . . . 0.0 112.454 -171.543 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -58.87 -49.79 76.43 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.893 0.377 . . . . 0.0 110.411 175.137 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.545 ' O ' HG23 ' A' ' 97' ' ' VAL . 81.2 t80 -62.24 -45.33 93.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.381 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.51 ' HB2' ' HB1' ' A' ' 25' ' ' ALA . . . -57.32 -43.0 82.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.212 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 42.8 m -59.7 -41.81 91.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.964 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 9.6 mp -72.32 -32.35 66.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.939 179.142 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 93' ' ' PHE . 96.4 t -62.41 -40.77 89.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.704 0.287 . . . . 0.0 110.233 175.353 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.455 ' HG3' ' O ' ' A' ' 94' ' ' ALA . 78.1 mt-30 -57.72 -35.32 70.5 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.829 0.347 . . . . 0.0 110.42 176.777 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 32.6 mm-40 -66.59 -40.04 88.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.09 177.775 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' HIS . . . . . 0.471 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 4.9 t-160 -59.32 -41.03 88.14 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 177.579 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.536 HD21 ' HB3' ' A' ' 18' ' ' LEU . 3.6 mm? -59.29 -47.7 84.38 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.573 177.217 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 17.0 mm-40 -68.13 -37.92 81.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.351 0.596 . . . . 0.0 110.744 179.225 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -64.78 -49.31 71.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.054 -0.975 . . . . 0.0 112.287 -173.62 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.462 ' O ' HG23 ' A' ' 108' ' ' VAL . 17.0 mm-40 -62.71 -23.03 66.94 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -174.15 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.472 ' O ' ' HG2' ' A' ' 109' ' ' GLU . 77.0 mt-30 -60.71 -33.13 72.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.87 0.367 . . . . 0.0 110.328 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 10.2 mtp180 -64.25 -34.02 77.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.113 177.302 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.516 ' CE1' ' HB3' ' A' ' 73' ' ' ASP . 64.5 m170 -74.55 -40.77 61.48 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.963 -177.56 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 104' ' ' GLU . 3.7 t -65.61 -36.14 76.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.255 178.488 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.472 ' HG2' ' O ' ' A' ' 105' ' ' GLN . 62.2 mm-40 -58.71 -37.65 76.58 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.897 177.452 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.443 ' HG2' HD11 ' A' ' 70' ' ' ILE . 15.7 tp10 -61.49 -39.59 91.5 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.718 0.294 . . . . 0.0 110.264 177.626 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.477 HG22 ' HG3' ' A' ' 112' ' ' GLU . 54.0 mt -66.52 -77.54 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.269 -0.423 . . . . 0.0 109.959 177.286 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.477 ' HG3' HG22 ' A' ' 111' ' ' ILE . 41.2 mt-10 . . . . . 0 N--CA 1.448 -0.575 0 CA-C-O 121.619 0.723 . . . . 0.0 110.199 178.313 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 42.8 tp . . . . . 0 N--CA 1.445 -0.697 0 CA-C-O 120.861 0.362 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 42.4 mt -59.7 -28.16 67.07 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -178.448 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -57.09 -33.37 67.22 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.478 -176.504 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.95 -47.17 87.65 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 120.745 0.307 . . . . 0.0 110.959 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.426 ' O ' HG13 ' A' ' 15' ' ' ILE . 6.2 mm-40 -63.04 -42.66 99.8 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.333 177.803 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 -62.54 -40.3 96.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.179 -178.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -65.67 -44.03 87.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.454 178.731 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.529 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -58.5 -46.28 93.36 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.771 -0.728 . . . . 0.0 111.712 176.64 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.542 ' HA ' HD12 ' A' ' 18' ' ' LEU . 80.5 mt -61.75 -39.43 83.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.564 0.221 . . . . 0.0 111.121 178.22 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -58.16 -47.01 84.69 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-O 120.988 0.423 . . . . 0.0 110.691 179.37 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.402 HD13 ' HB3' ' A' ' 39' ' ' GLU . 65.0 mt -65.56 -38.18 81.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.831 179.251 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.645 ' HB3' HD21 ' A' ' 101' ' ' LEU . 96.6 mt -58.27 -37.09 74.28 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.1 177.718 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.455 ' HG3' ' O ' ' A' ' 15' ' ' ILE . 65.2 mttm -57.55 -45.19 85.41 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.882 0.373 . . . . 0.0 110.832 178.798 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -67.54 -34.88 77.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.814 -177.729 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.771 HG21 HD11 ' A' ' 40' ' ' ILE . 86.4 t -63.34 -41.34 92.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.892 179.567 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 92.4 mt -58.61 -35.74 72.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.763 178.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -69.96 -47.92 60.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.407 179.016 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.425 ' HE2' ' HA ' ' A' ' 24' ' ' LYS . 0.2 OUTLIER -68.5 -26.64 65.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.267 -177.28 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.91 -46.29 88.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.014 178.556 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -71.79 -34.08 69.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.567 178.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -60.06 -36.46 77.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.442 173.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 81.59 44.97 7.56 Favored Glycine 0 N--CA 1.448 -0.536 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.671 176.11 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -116.35 111.72 20.48 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.103 -0.332 . . . . 0.0 110.103 178.132 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -69.81 -28.99 66.17 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.206 -176.58 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -70.0 -47.93 60.19 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.749 -177.42 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -64.19 -42.23 96.75 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 175.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 41.5 mt -58.44 -44.28 89.12 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.101 177.485 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.9 -43.54 92.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.672 0.272 . . . . 0.0 111.023 179.024 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.417 ' O ' ' HG2' ' A' ' 39' ' ' GLU . 6.0 ttp180 -64.34 -46.96 81.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.131 0.491 . . . . 0.0 110.29 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.412 ' O ' HG13 ' A' ' 40' ' ' ILE . 89.5 mt -65.2 -34.61 78.77 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.278 178.219 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.43 ' O ' HG23 ' A' ' 41' ' ' VAL . 67.0 t30 -61.06 -41.52 96.77 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.273 0.558 . . . . 0.0 109.629 176.116 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -59.24 -41.1 87.92 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.048 175.679 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.417 ' HG2' ' O ' ' A' ' 35' ' ' ARG . 13.9 mm-40 -63.87 -39.54 94.45 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.73 177.667 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.771 HD11 HG21 ' A' ' 21' ' ' VAL . 79.8 mt -62.77 -49.69 82.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.702 178.525 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 37' ' ' ASN . 85.2 t -56.87 -50.27 75.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.076 -177.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -63.15 -36.48 83.76 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 120.637 0.256 . . . . 0.0 111.093 -178.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.04 -47.42 71.43 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.814 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.499 ' O ' HG23 ' A' ' 48' ' ' VAL . 7.1 mm-40 -61.49 -45.36 94.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.327 177.416 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -59.5 -39.79 84.94 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 120.736 0.303 . . . . 0.0 111.135 178.41 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.45 -44.85 95.4 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 179.125 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.448 ' O ' ' HD2' ' A' ' 51' ' ' TYR . . . -64.78 -46.45 89.65 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.154 176.398 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 44' ' ' GLU . 76.6 t -53.91 -40.82 46.39 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.086 0 C-N-CA 122.378 0.271 . . . . 0.0 110.964 178.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -55.68 -49.91 71.67 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.898 178.129 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.7 t -69.72 -46.27 75.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.939 -178.279 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.455 ' HB3' ' HG ' ' A' ' 71' ' ' LEU . 38.1 m-85 -59.17 -46.33 88.68 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.109 179.197 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.58 ' HA ' HD11 ' A' ' 71' ' ' LEU . 39.9 ttmt -60.93 -43.3 98.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.962 0.41 . . . . 0.0 110.992 -178.624 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -67.52 -38.39 84.18 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.386 -178.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.76 -35.26 70.04 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.572 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.9 -47.6 82.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.004 0.431 . . . . 0.0 111.938 -177.048 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -86.84 17.68 3.91 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.989 -177.043 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.7 ttmm -143.95 13.73 1.68 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.181 -178.619 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.55 162.79 26.84 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.974 -172.821 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -70.5 -77.23 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.423 179.069 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -104.92 153.8 39.12 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.972 -175.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo -57.65 -28.21 80.58 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 123.255 2.636 . . . . 0.0 113.009 -179.431 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -61.45 -39.04 89.39 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.156 0.503 . . . . 0.0 110.613 178.223 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -67.36 -42.5 83.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.183 178.229 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.469 ' HD2' ' HB2' ' A' ' 68' ' ' ASP . 2.8 tmm_? -66.18 -37.07 84.72 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.021 -179.044 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -56.71 -46.15 81.44 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-O 120.966 0.412 . . . . 0.0 110.568 176.872 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.2 t -65.76 -49.77 75.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.214 179.107 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.416 HG23 ' HD1' ' A' ' 51' ' ' TYR . 78.3 mt -60.84 -45.99 97.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.351 -179.254 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.469 ' HB2' ' HD2' ' A' ' 64' ' ' ARG . 19.4 t70 -63.31 -47.49 82.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.918 -175.341 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.431 ' O ' ' HB2' ' A' ' 73' ' ' ASP . 23.9 pttm -70.34 -32.6 70.38 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.297 -0.561 . . . . 0.0 110.707 -177.816 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.5 ' O ' ' HG2' ' A' ' 74' ' ' GLU . 28.9 mt -70.62 -39.78 76.34 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.352 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 173.806 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.58 HD11 ' HA ' ' A' ' 52' ' ' LYS . 6.9 mt -56.77 -49.68 74.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.711 173.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -63.13 -35.57 80.73 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.316 -0.857 . . . . 0.0 109.503 177.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.532 ' O ' ' HB3' ' A' ' 76' ' ' LYS . 0.4 OUTLIER -69.79 -43.77 71.44 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.32 -179.388 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.5 ' HG2' ' O ' ' A' ' 70' ' ' ILE . 66.0 mm-40 -63.63 -41.58 98.25 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 121.079 -0.248 . . . . 0.0 110.466 -178.53 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -63.62 -34.57 78.12 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.457 0.646 . . . . 0.0 109.744 174.485 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.532 ' HB3' ' O ' ' A' ' 73' ' ' ASP . 34.8 ttmt -63.95 -40.3 96.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.118 -0.946 . . . . 0.0 110.175 175.856 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.527 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 29.9 m170 -64.87 -48.5 74.02 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 121.355 0.598 . . . . 0.0 109.809 178.204 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.408 HG13 ' O ' ' A' ' 74' ' ' GLU . 89.4 mt -60.53 -39.24 80.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 CA-C-N 115.021 -0.991 . . . . 0.0 110.926 -178.51 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -56.56 -33.5 66.2 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 120.796 0.331 . . . . 0.0 110.582 178.502 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 18.1 t-105 -71.13 -57.99 3.98 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.73 175.692 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -57.47 -32.43 66.95 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.229 0.538 . . . . 0.0 111.371 -178.412 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 53.6 tttt -65.39 -47.99 74.43 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.055 176.298 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.29 -33.35 69.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.95 0.405 . . . . 0.0 111.496 -178.718 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.517 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.464 -179.064 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.225 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -68.83 -48.31 63.86 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.894 0.378 . . . . 0.0 111.408 -173.058 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -68.99 -35.7 77.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.05 0.453 . . . . 0.0 110.262 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.526 ' O ' HG23 ' A' ' 97' ' ' VAL . 39.5 t80 -63.04 -48.63 77.9 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.313 174.735 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.538 ' O ' ' HG3' ' A' ' 98' ' ' GLN . . . -59.29 -39.36 82.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.171 179.361 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 30.4 m -57.21 -44.24 83.53 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.419 178.682 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 8.6 mp -72.72 -33.01 66.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.374 178.159 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 93' ' ' PHE . 84.9 t -62.78 -37.77 79.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.865 0.364 . . . . 0.0 110.247 175.248 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.538 ' HG3' ' O ' ' A' ' 94' ' ' ALA . 95.5 mt-30 -59.89 -33.21 71.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.565 177.081 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -64.03 -36.27 83.43 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.401 175.541 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' HIS . . . . . 0.527 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 7.0 t-160 -64.34 -40.99 96.97 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 176.643 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.645 HD21 ' HB3' ' A' ' 18' ' ' LEU . 3.9 mm? -60.07 -48.56 81.22 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.915 176.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.423 ' HG2' ' O ' ' A' ' 98' ' ' GLN . 16.8 mm-40 -64.41 -35.89 82.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.218 0.532 . . . . 0.0 110.285 179.635 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -67.93 -49.74 60.07 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.879 -177.3 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -64.55 -20.73 66.41 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.707 0.289 . . . . 0.0 110.586 -177.014 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.545 ' HG3' ' O ' ' A' ' 101' ' ' LEU . 78.3 mt-30 -63.07 -46.93 85.13 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.498 175.479 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 21.1 ttt180 -65.42 -32.73 74.51 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.843 0.354 . . . . 0.0 110.249 177.768 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.449 ' O ' HG12 ' A' ' 111' ' ' ILE . 15.2 m170 -58.22 -44.07 88.02 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 177.383 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 59.4 t -69.28 -43.72 81.05 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.321 175.103 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.52 ' HG3' ' O ' ' A' ' 105' ' ' GLN . 48.4 mt-10 -57.8 -38.82 76.2 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -177.125 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -70.05 -27.51 64.71 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 122.199 -0.313 . . . . 0.0 111.517 179.249 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.449 HG12 ' O ' ' A' ' 107' ' ' HIS . 31.6 mm -83.87 -73.83 0.3 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 CA-C-O 120.719 0.295 . . . . 0.0 111.525 179.801 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 . . . . . 0 C--O 1.234 0.265 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -173.764 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 95.3 mt . . . . . 0 CA--C 1.527 0.076 0 CA-C-O 120.87 0.367 . . . . 0.0 110.36 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 87.2 mt -59.92 -28.64 67.77 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.449 178.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 43.5 tttp -56.44 -34.89 67.26 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.388 -174.593 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.24 -47.06 68.8 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.104 -179.038 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -68.32 -40.07 81.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.159 0.504 . . . . 0.0 109.903 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -63.82 -39.37 94.08 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.058 178.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -63.99 -41.13 97.6 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.482 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.518 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -58.83 -46.46 93.5 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.898 177.145 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.402 ' HA ' HD12 ' A' ' 18' ' ' LEU . 64.6 mt -63.34 -39.56 85.73 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 CA-C-O 120.94 0.4 . . . . 0.0 110.594 178.867 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.0 tmtm? -56.42 -46.04 80.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.646 177.552 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.525 HD13 ' HB3' ' A' ' 39' ' ' GLU . 75.1 mt -65.99 -40.79 88.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.65 178.351 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.536 ' HB3' HD21 ' A' ' 101' ' ' LEU . 95.7 mt -57.81 -36.9 72.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.083 178.643 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 30.3 mmtp -60.56 -44.32 96.29 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 120.772 0.32 . . . . 0.0 110.897 177.361 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -62.76 -33.45 75.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.042 -179.42 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.575 ' HA ' HD13 ' A' ' 36' ' ' LEU . 60.5 t -59.08 -42.01 85.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.802 -179.407 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 87.3 mt -58.46 -41.1 84.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.698 179.361 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.2 mmmt -73.1 -46.98 48.24 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.586 178.739 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.726 ' HD3' ' HB3' ' A' ' 32' ' ' GLU . 68.8 mttm -69.7 -26.82 64.54 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.901 -173.827 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.94 -34.42 78.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.1 0.476 . . . . 0.0 110.105 174.556 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -72.36 -32.81 66.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.812 178.462 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -64.89 -28.48 69.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.2 177.5 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 77.18 17.35 79.65 Favored Glycine 0 N--CA 1.45 -0.372 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.86 175.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -95.38 114.58 26.37 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.882 0.372 . . . . 0.0 110.184 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -72.56 -21.52 61.14 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.02 -0.537 . . . . 0.0 112.251 -176.412 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -68.16 -43.23 78.69 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 177.655 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.726 ' HB3' ' HD3' ' A' ' 24' ' ' LYS . 63.2 mm-40 -60.95 -43.09 99.18 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.048 174.386 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.411 ' HA ' HD12 ' A' ' 36' ' ' LEU . 84.8 mt -61.06 -45.39 94.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.305 179.516 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.86 -42.5 99.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.08 0.467 . . . . 0.0 110.331 177.371 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 34.8 ttt180 -59.0 -46.82 87.21 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.678 176.3 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.6 HD21 ' HD2' ' A' ' 24' ' ' LYS . 80.3 mt -58.95 -46.31 88.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.346 -178.465 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.456 ' O ' HG23 ' A' ' 41' ' ' VAL . 5.9 t30 -62.23 -41.24 98.22 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 -177.825 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.51 -47.81 82.32 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.395 175.851 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.525 ' HB3' HD13 ' A' ' 17' ' ' ILE . 5.8 mm-40 -59.81 -41.81 92.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.134 179.72 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.471 HG13 ' O ' ' A' ' 36' ' ' LEU . 94.5 mt -60.15 -49.8 82.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.608 178.158 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 37' ' ' ASN . 89.2 t -56.27 -46.1 81.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.01 0.433 . . . . 0.0 110.614 178.24 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 52.3 mtpt -61.69 -42.91 99.57 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.467 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.55 -47.13 61.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.552 -0.294 . . . . 0.0 111.494 -179.389 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.471 ' O ' HG23 ' A' ' 48' ' ' VAL . 6.0 mm-40 -58.84 -46.28 88.06 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.479 -179.542 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.406 ' CG ' HD13 ' A' ' 78' ' ' ILE . 27.0 mtpp -69.4 -30.95 69.02 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 116.712 -0.222 . . . . 0.0 111.39 -179.62 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -60.29 -40.95 92.29 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 175.139 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -68.16 -45.87 68.62 Favored Glycine 0 N--CA 1.446 -0.638 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.744 174.32 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 44' ' ' GLU . 63.4 t -53.83 -40.93 46.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.77 0.319 . . . . 0.0 111.196 178.453 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.406 ' HB2' ' HE3' ' A' ' 49' ' ' LYS . 37.5 ttmt -58.23 -51.52 69.41 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.206 -177.119 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.8 m -73.3 -41.15 57.7 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.235 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 178.524 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.526 ' HB2' HD23 ' A' ' 71' ' ' LEU . 10.8 m-85 -66.48 -37.96 86.25 Favored 'General case' 0 C--O 1.226 -0.166 0 N-CA-C 111.556 0.206 . . . . 0.0 111.556 -176.224 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.551 ' HA ' ' HG ' ' A' ' 71' ' ' LEU . 55.1 tttp -63.08 -37.41 87.09 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.0 0.428 . . . . 0.0 110.141 -179.125 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -67.24 -43.02 83.01 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.219 176.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.71 -32.99 71.87 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.487 -178.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.15 -42.1 94.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.854 0.359 . . . . 0.0 111.277 -179.052 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -81.16 -12.92 59.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.053 -178.282 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.5 ttpt -125.22 28.65 6.29 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.423 0.63 . . . . 0.0 110.197 -174.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.64 ' HB3' ' HG3' ' A' ' 64' ' ' ARG . . . -78.37 157.88 28.94 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.348 179.157 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 52.0 mtt180 -101.79 -59.16 1.75 Allowed 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.872 -174.451 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -83.65 128.02 65.44 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.001 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -59.9 -38.5 78.79 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 123.066 2.511 . . . . 0.0 113.231 -174.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -63.56 -45.27 91.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.961 0.41 . . . . 0.0 110.515 -177.667 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 32.8 mmtm -75.8 -28.01 58.17 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.305 176.795 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.64 ' HG3' ' HB3' ' A' ' 58' ' ' ALA . 29.8 ttt180 -57.73 -46.21 84.75 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 175.531 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.11 -43.17 95.8 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.858 177.095 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 77.8 t -58.74 -53.66 44.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.313 178.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 70.3 mt -62.27 -42.47 95.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.712 -178.317 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -60.08 -47.07 87.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.771 179.303 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.56 ' HA ' ' HE3' ' A' ' 69' ' ' LYS . 0.1 OUTLIER -64.12 -45.27 89.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.847 -177.142 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.537 HG23 ' ND1' ' A' ' 107' ' ' HIS . 50.8 mt -66.94 -38.23 80.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.951 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.551 ' HG ' ' HA ' ' A' ' 52' ' ' LYS . 2.8 tm? -58.68 -50.05 75.32 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.44 177.227 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -68.69 -35.8 77.66 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.073 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.48 ' HB3' ' CE1' ' A' ' 107' ' ' HIS . 0.5 OUTLIER -62.06 -42.65 99.41 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 121.221 0.534 . . . . 0.0 110.299 178.391 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -60.51 -39.11 86.59 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.098 -0.956 . . . . 0.0 110.482 -176.464 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.444 ' HA ' HD12 ' A' ' 78' ' ' ILE . 19.7 mm-40 -67.68 -35.84 79.58 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 120.729 0.299 . . . . 0.0 110.998 174.655 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -64.57 -34.03 77.29 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.614 0.245 . . . . 0.0 110.86 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.412 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 45.2 m170 -61.67 -47.24 86.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.69 0.757 . . . . 0.0 109.467 175.553 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.576 HG22 ' HE3' ' A' ' 82' ' ' LYS . 48.6 mt -61.39 -38.41 79.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 114.778 -1.101 . . . . 0.0 110.421 178.764 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.478 ' HA ' ' OE1' ' A' ' 79' ' ' GLU . 9.3 mm-40 -56.74 -43.28 80.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.464 175.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.485 ' CZ2' HD13 ' A' ' 96' ' ' LEU . 21.5 t-105 -65.06 -53.88 38.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.733 176.383 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 53.7 m-70 -59.27 -36.67 75.93 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -177.187 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.576 ' HE3' HG22 ' A' ' 78' ' ' ILE . 10.6 mtmp? -68.78 -36.24 78.05 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.689 177.663 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.83 -35.23 72.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.039 0.447 . . . . 0.0 110.716 176.566 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.515 179.079 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.138 0 N-CA-C 111.566 0.21 . . . . 0.0 111.566 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -63.44 -47.52 81.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.876 0.37 . . . . 0.0 111.702 -174.153 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -68.16 -39.02 82.69 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.512 0.672 . . . . 0.0 109.905 177.667 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.552 ' O ' HG13 ' A' ' 97' ' ' VAL . 70.8 t80 -61.52 -49.82 75.17 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.803 -1.089 . . . . 0.0 111.006 -177.204 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.578 ' HA ' HG22 ' A' ' 97' ' ' VAL . . . -66.12 -24.84 66.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.749 0.309 . . . . 0.0 111.646 -177.238 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 52.5 m -72.41 -42.05 65.58 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.137 0.494 . . . . 0.0 109.966 173.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.485 HD13 ' CZ2' ' A' ' 80' ' ' TRP . 94.3 mt -72.87 -33.74 66.28 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.704 -178.061 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.578 HG22 ' HA ' ' A' ' 94' ' ' ALA . 32.6 m -63.54 -35.21 71.74 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 CA-C-O 120.732 0.301 . . . . 0.0 110.83 178.527 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -57.64 -32.19 67.01 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.289 177.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.67 -42.75 99.79 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 177.842 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' HIS . . . . . 0.412 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 5.6 t-160 -66.9 -41.67 86.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.716 178.421 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.536 HD21 ' HB3' ' A' ' 18' ' ' LEU . 3.8 mm? -59.21 -48.37 81.88 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.52 178.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -67.39 -36.04 80.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.071 0.462 . . . . 0.0 110.653 179.397 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -62.88 -48.99 76.61 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.547 -178.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.446 ' O ' HG23 ' A' ' 108' ' ' VAL . 20.5 mm-40 -66.82 -27.61 67.7 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 121.008 -0.277 . . . . 0.0 110.59 -178.217 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.577 ' O ' ' HG3' ' A' ' 109' ' ' GLU . 77.4 mt-30 -66.89 -39.08 87.37 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 173.807 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.96 -38.72 89.56 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.142 172.424 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.606 ' O ' HG13 ' A' ' 111' ' ' ILE . 17.2 m170 -59.88 -49.81 76.24 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.071 175.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 104' ' ' GLU . 94.1 t -61.67 -40.99 88.66 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.367 -179.557 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.577 ' HG3' ' O ' ' A' ' 105' ' ' GLN . 50.8 mt-10 -56.99 -45.29 83.1 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-O 121.19 0.519 . . . . 0.0 110.335 177.2 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -70.04 -29.26 66.24 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.327 -0.852 . . . . 0.0 110.71 -176.036 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.606 HG13 ' O ' ' A' ' 107' ' ' HIS . 57.7 mt -81.55 -67.16 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.971 0.415 . . . . 0.0 111.265 178.472 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.582 -172.905 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.578 ' HB3' ' HE1' ' A' ' 51' ' ' TYR . 53.5 mt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.735 0.302 . . . . 0.0 110.74 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -70.7 -38.17 73.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.013 178.799 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -59.33 -31.47 69.2 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.312 178.389 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.88 -44.69 86.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.686 0.279 . . . . 0.0 111.098 177.397 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -66.21 -40.87 90.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.832 0.349 . . . . 0.0 110.524 176.522 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -62.61 -33.88 75.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.548 177.348 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.438 ' O ' HG13 ' A' ' 17' ' ' ILE . 25.3 tp60 -62.12 -45.26 94.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.169 177.201 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.635 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -62.02 -46.59 93.75 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.806 -0.712 . . . . 0.0 111.647 177.604 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 82.6 mt -60.16 -43.05 92.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.743 0.306 . . . . 0.0 110.732 178.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.3 tmtm? -56.54 -44.49 80.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.514 177.691 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.548 ' O ' HG23 ' A' ' 21' ' ' VAL . 69.9 mt -68.66 -42.91 83.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.877 178.269 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.635 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 93.4 mt -57.26 -37.43 72.33 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.959 -179.648 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.598 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 98.9 mttt -57.73 -42.22 83.4 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 121.08 0.467 . . . . 0.0 111.055 176.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -75.22 -32.7 61.22 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.981 -179.209 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.58 HG21 HD11 ' A' ' 40' ' ' ILE . 87.9 t -59.67 -44.98 94.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.992 178.67 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.598 ' HG ' ' O ' ' A' ' 19' ' ' LYS . 4.4 pp -64.45 -34.74 78.9 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.59 179.442 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -63.69 -47.71 80.06 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 121.282 0.563 . . . . 0.0 109.943 175.417 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.46 ' HA ' ' HD3' ' A' ' 24' ' ' LYS . 69.7 mmtt -72.27 -21.16 61.41 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.605 -176.877 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.84 -33.37 70.59 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.949 0.404 . . . . 0.0 110.513 175.424 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -72.76 -30.83 64.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.255 0.55 . . . . 0.0 110.439 176.118 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -78.08 -33.56 50.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.794 178.164 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.63 39.91 47.81 Favored Glycine 0 N--CA 1.448 -0.521 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 -175.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -94.53 100.51 12.47 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 -176.279 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -60.42 -41.47 94.02 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.61 -176.468 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -60.99 -50.67 72.45 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 -176.193 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.408 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 18.2 mm-40 -71.47 -38.56 71.24 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.258 -179.322 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.463 HD22 ' CE2' ' A' ' 93' ' ' PHE . 31.1 mt -59.52 -45.7 91.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.559 0.218 . . . . 0.0 110.863 177.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.63 -44.46 90.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.872 0.368 . . . . 0.0 110.562 178.283 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.453 HH11 ' HD3' ' A' ' 35' ' ' ARG . 24.5 ttm-85 -59.68 -49.09 79.11 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.125 178.067 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.558 ' O ' HG13 ' A' ' 40' ' ' ILE . 90.7 mt -63.67 -45.08 91.73 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.754 -179.202 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.428 ' O ' HG23 ' A' ' 41' ' ' VAL . 7.6 t30 -59.86 -40.28 88.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.168 0.509 . . . . 0.0 110.199 179.204 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -66.76 -42.73 85.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.571 177.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.503 ' HA ' ' HG2' ' A' ' 42' ' ' LYS . 0.3 OUTLIER -70.57 -30.72 67.5 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.46 -179.579 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.58 HD11 HG21 ' A' ' 21' ' ' VAL . 83.2 mt -56.97 -49.56 78.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 172.378 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 37' ' ' ASN . 61.9 t -54.8 -40.17 51.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.928 177.803 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.503 ' HG2' ' HA ' ' A' ' 39' ' ' GLU . 37.5 mmtm -58.09 -48.02 81.45 Favored 'General case' 0 CA--C 1.528 0.106 0 CA-C-O 120.907 0.384 . . . . 0.0 110.428 179.134 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.3 -46.45 64.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.413 -176.516 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.503 ' O ' HG23 ' A' ' 48' ' ' VAL . 7.7 mm-40 -58.84 -46.38 87.85 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.594 -179.32 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.574 ' HE2' HG21 ' A' ' 78' ' ' ILE . 62.3 mmtt -65.51 -37.48 86.89 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.221 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.405 ' O ' HG22 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -60.44 -45.35 93.98 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 177.886 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -66.27 -47.16 73.74 Favored Glycine 0 N--CA 1.448 -0.545 0 CA-C-N 115.547 -0.751 . . . . 0.0 112.559 178.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.542 HG22 ' HB3' ' A' ' 74' ' ' GLU . 81.0 t -58.14 -41.96 82.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.934 0.367 . . . . 0.0 111.211 -179.643 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -63.66 -50.17 70.31 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.017 -176.16 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.405 HG22 ' O ' ' A' ' 46' ' ' GLN . 25.4 m -70.87 -34.44 55.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 111.666 0.247 . . . . 0.0 111.666 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.578 ' HE1' ' HB3' ' A' ' 7' ' ' LEU . 11.4 m-30 -65.51 -37.23 86.16 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.461 0.172 . . . . 0.0 110.923 179.602 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 48.7 tttm -57.51 -44.5 85.09 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.704 0.287 . . . . 0.0 110.703 178.75 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -69.48 -42.17 75.18 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.999 0.428 . . . . 0.0 110.238 177.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.92 -32.5 72.91 Favored 'General case' 0 C--O 1.225 -0.194 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.439 -179.317 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.04 -32.87 72.47 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.424 178.539 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -90.92 -11.9 37.69 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.993 0.425 . . . . 0.0 110.654 -179.387 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 54.0 mttp -109.76 21.18 17.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.358 176.8 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.91 -29.27 69.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.767 -174.079 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.545 ' HD3' ' O ' ' A' ' 59' ' ' ARG . 3.9 tmt_? 78.21 -23.78 0.24 Allowed 'General case' 0 N--CA 1.468 0.439 0 O-C-N 123.699 0.624 . . . . 0.0 111.351 172.849 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.467 ' HB3' ' HD3' ' A' ' 63' ' ' LYS . 21.4 t-20 -144.44 135.35 12.34 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 122.314 -0.241 . . . . 0.0 110.703 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -56.42 -38.36 95.41 Favored 'Trans proline' 0 CA--C 1.533 0.442 0 C-N-CA 123.633 2.889 . . . . 0.0 114.318 -176.216 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -69.49 -44.37 71.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.807 0.336 . . . . 0.0 110.876 -175.364 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.467 ' HD3' ' HB3' ' A' ' 60' ' ' ASN . 7.3 ptmm? -75.87 -26.44 57.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.925 0.393 . . . . 0.0 110.35 177.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -58.55 -44.13 89.56 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 174.204 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 24.9 tm0? -56.99 -42.32 80.05 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.896 179.523 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.568 HG13 ' HG3' ' A' ' 110' ' ' GLU . 87.2 t -59.02 -49.98 81.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.01 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 49.2 mm -65.44 -45.75 92.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.794 -179.424 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -63.24 -37.92 89.14 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.408 -178.327 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -60.73 -46.28 91.02 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.102 0.477 . . . . 0.0 111.135 178.394 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 16.1 mt -72.19 -37.15 58.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.109 178.538 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -54.76 -41.81 70.92 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 175.658 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -64.69 -47.37 78.62 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.944 175.785 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.553 ' HB3' ' CE1' ' A' ' 107' ' ' HIS . 0.4 OUTLIER -71.24 -39.05 71.9 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.914 -173.357 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.542 ' HB3' HG22 ' A' ' 48' ' ' VAL . 3.2 tp10 -66.81 -34.4 77.72 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.607 -173.435 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.507 ' HA ' ' OE1' ' A' ' 75' ' ' GLU . 1.3 mm-40 -67.87 -34.64 77.06 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 121.376 0.607 . . . . 0.0 110.222 172.345 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.531 ' HB3' ' O ' ' A' ' 73' ' ' ASP . 87.7 tttt -61.29 -33.89 74.3 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.686 178.429 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 51.8 m170 -68.99 -48.11 63.9 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.262 0.553 . . . . 0.0 110.712 179.694 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.574 HG21 ' HE2' ' A' ' 45' ' ' LYS . 57.9 mt -59.57 -48.89 85.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.053 -174.782 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.473 ' HA ' ' HD3' ' A' ' 82' ' ' LYS . 73.4 mm-40 -58.47 -32.7 69.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.982 178.818 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 10.0 t-105 -68.67 -49.6 57.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.675 -0.239 . . . . 0.0 110.485 179.116 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 44.1 m-70 -61.9 -32.36 72.73 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-O 120.703 0.287 . . . . 0.0 111.772 176.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.473 ' HD3' ' HA ' ' A' ' 79' ' ' GLU . 52.3 mtpt -62.04 -47.34 85.18 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.848 0.356 . . . . 0.0 110.687 175.434 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.11 -30.44 68.72 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.324 -179.148 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.423 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -174.617 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.792 0.33 . . . . 0.0 110.344 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -58.75 -39.32 80.58 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.347 0.594 . . . . 0.0 110.356 176.352 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.518 ' O ' ' HG ' ' A' ' 96' ' ' LEU . 2.2 mp0 -68.04 -38.22 82.24 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.549 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.463 ' CE2' HD22 ' A' ' 33' ' ' LEU . 0.9 OUTLIER -62.97 -37.63 87.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.206 -177.682 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.414 ' O ' ' HG3' ' A' ' 98' ' ' GLN . . . -60.73 -30.46 69.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.991 176.817 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 22.4 t -84.67 -36.48 21.89 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.906 0.384 . . . . 0.0 110.6 177.797 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 92' ' ' GLN . 89.5 mt -65.69 -38.41 89.15 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.282 -177.695 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 14.7 p -62.48 -34.76 66.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.4 178.779 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.414 ' HG3' ' O ' ' A' ' 94' ' ' ALA . 90.5 mt-30 -57.46 -44.05 84.51 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.362 178.227 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -65.52 -42.97 91.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.844 -175.009 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -68.58 -42.33 78.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.841 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.409 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 55.3 tp -61.16 -48.37 81.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.754 -179.027 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -66.81 -34.77 78.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.567 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -65.01 -49.92 68.31 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.641 -179.631 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -66.32 -22.34 66.28 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 120.508 0.194 . . . . 0.0 110.509 -177.278 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.409 ' HG3' ' O ' ' A' ' 101' ' ' LEU . 78.1 mt-30 -61.61 -46.36 90.15 Favored 'General case' 0 C--N 1.333 -0.136 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 172.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.5 -33.77 76.31 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.341 175.855 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.553 ' CE1' ' HB3' ' A' ' 73' ' ' ASP . 12.3 m170 -60.6 -49.79 76.13 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.17 0.509 . . . . 0.0 110.286 177.258 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 85.8 t -67.69 -37.97 79.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.719 179.276 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.406 ' HG3' ' O ' ' A' ' 105' ' ' GLN . 47.9 mt-10 -57.39 -34.06 68.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.977 174.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.568 ' HG3' HG13 ' A' ' 66' ' ' VAL . 5.9 tp10 -69.75 -45.13 68.79 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.042 -178.723 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.492 HG13 ' O ' ' A' ' 107' ' ' HIS . 0.9 OUTLIER -93.38 -65.62 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.291 0.567 . . . . 0.0 112.247 -174.291 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 . . . . . 0 C--N 1.326 -0.455 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.715 -166.998 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.662 ' HG ' HG23 ' A' ' 50' ' ' VAL . 6.8 mp . . . . . 0 C--O 1.233 0.194 0 CA-C-O 121.129 0.49 . . . . 0.0 110.067 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -65.88 -39.97 91.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.498 -0.773 . . . . 0.0 110.018 179.542 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -61.72 -41.84 98.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.558 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.94 -41.64 91.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.691 0.281 . . . . 0.0 110.846 179.339 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -61.29 -44.29 97.46 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-O 121.197 0.522 . . . . 0.0 109.789 177.016 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 71.5 mm-40 -61.88 -38.9 90.03 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.139 177.532 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.47 ' O ' HG13 ' A' ' 17' ' ' ILE . 48.9 mt-30 -61.3 -44.76 96.68 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.028 179.428 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.632 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -59.9 -46.5 94.01 Favored Glycine 0 C--N 1.332 0.358 0 C-N-CA 120.673 -0.775 . . . . 0.0 111.82 177.573 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.557 ' HA ' HD12 ' A' ' 18' ' ' LEU . 79.1 mt -58.61 -42.13 84.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.033 0.444 . . . . 0.0 111.121 179.088 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 31.0 ttmt -65.14 -41.35 94.88 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.895 -177.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 13' ' ' GLN . 58.1 mt -69.06 -33.45 58.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.567 178.259 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.632 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 86.9 mt -57.05 -37.56 71.98 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.213 178.806 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -66.92 -37.34 84.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.909 0.385 . . . . 0.0 110.839 179.234 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -62.79 -36.9 84.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.018 178.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.483 HG11 HG21 ' A' ' 97' ' ' VAL . 64.9 t -60.47 -41.56 88.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.643 178.818 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 48.4 mt -62.89 -38.11 89.59 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.589 -179.05 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -71.99 -48.03 47.72 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.172 179.588 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.44 -26.6 61.9 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.84 -174.736 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.23 -36.29 79.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.976 0.417 . . . . 0.0 110.516 176.161 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -71.9 -34.5 69.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.491 177.214 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -67.08 -31.53 72.08 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.212 175.31 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 84.89 35.14 13.37 Favored Glycine 0 N--CA 1.449 -0.447 0 CA-C-N 115.772 -0.649 . . . . 0.0 113.4 172.732 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -109.9 128.98 55.69 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.863 0.363 . . . . 0.0 110.503 176.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -89.95 -24.0 21.41 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.191 -175.196 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -61.96 -46.79 87.72 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 174.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.461 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 20.2 mm-40 -60.95 -45.57 94.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.743 174.322 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 50.9 mt -58.88 -41.94 88.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.442 -179.608 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.76 -45.86 87.93 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 120.748 0.309 . . . . 0.0 110.479 178.455 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 51.7 ttm-85 -60.25 -49.12 78.86 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.047 177.574 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.506 ' O ' HG13 ' A' ' 40' ' ' ILE . 96.0 mt -62.71 -42.89 99.88 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.712 -178.244 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.453 ' O ' HG23 ' A' ' 41' ' ' VAL . 25.7 t-20 -56.02 -48.71 75.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.139 178.232 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.48 -48.18 80.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.032 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -65.48 -32.42 74.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.682 -0.236 . . . . 0.0 111.382 -176.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.566 ' O ' ' HG2' ' A' ' 44' ' ' GLU . 80.1 mt -62.37 -49.51 83.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 174.243 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 37' ' ' ASN . 83.9 t -57.69 -40.66 76.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.721 179.263 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -59.36 -45.63 90.89 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.075 177.416 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.78 -47.06 70.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.979 -178.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.566 ' HG2' ' O ' ' A' ' 40' ' ' ILE . 6.3 mm-40 -58.99 -47.24 85.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.646 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.528 ' HG2' HD13 ' A' ' 78' ' ' ILE . 13.6 mmtm -65.69 -37.15 85.66 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.407 -179.344 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 27.6 tp60 -60.82 -41.72 96.3 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 177.423 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -68.78 -47.42 55.68 Favored Glycine 0 N--CA 1.444 -0.794 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.993 176.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.56 HG12 ' HE2' ' A' ' 52' ' ' LYS . 62.9 t -53.86 -42.4 52.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.767 0.283 . . . . 0.0 111.188 179.762 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -65.93 -46.76 77.06 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 121.085 -0.246 . . . . 0.0 111.309 -178.58 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.662 HG23 ' HG ' ' A' ' 7' ' ' LEU . 28.8 m -70.46 -32.56 50.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 120.859 -0.336 . . . . 0.0 111.417 -179.327 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.47 ' CD1' HD23 ' A' ' 7' ' ' LEU . 31.3 m-85 -64.93 -42.93 94.25 Favored 'General case' 0 CA--C 1.522 -0.129 0 CA-C-O 120.766 0.317 . . . . 0.0 110.355 174.277 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.56 ' HE2' HG12 ' A' ' 48' ' ' VAL . 43.9 mtmt -59.24 -42.27 90.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.02 177.235 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -59.66 -46.88 87.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.558 179.117 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.16 -33.09 67.44 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.937 -178.27 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.26 -47.69 84.88 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -175.655 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -86.33 7.94 23.49 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.872 0.367 . . . . 0.0 111.774 -176.455 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 39.1 tttm -139.65 23.5 2.47 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.234 0.54 . . . . 0.0 109.736 -179.091 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.24 155.6 40.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.771 -0.65 . . . . 0.0 112.12 -174.744 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 62.8 mtt180 -93.56 -4.02 51.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.867 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -153.46 116.79 2.73 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.564 -178.286 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -56.83 -44.26 46.62 Favored 'Trans proline' 0 CA--C 1.531 0.341 0 C-N-CA 123.159 2.573 . . . . 0.0 113.241 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -60.73 -43.37 97.96 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 120.687 0.28 . . . . 0.0 111.356 -179.649 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.452 ' O ' ' HB ' ' A' ' 66' ' ' VAL . 50.2 tptt -73.45 -28.7 62.1 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.224 179.272 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 64' ' ' ARG . 0.2 OUTLIER -66.08 -37.58 86.15 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.45 176.507 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.544 ' O ' ' HG3' ' A' ' 69' ' ' LYS . 55.6 tt0 -59.92 -31.74 70.12 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 121.01 0.433 . . . . 0.0 110.2 178.405 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.537 ' CG1' ' HB3' ' A' ' 110' ' ' GLU . 83.1 t -59.23 -48.54 86.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.529 170.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 64.3 mt -61.85 -40.8 88.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.99 178.688 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -55.79 -44.42 77.74 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-O 120.767 0.318 . . . . 0.0 110.942 178.474 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.544 ' HG3' ' O ' ' A' ' 65' ' ' GLN . 48.1 mttp -64.73 -45.57 85.93 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.909 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.452 ' O ' ' HB2' ' A' ' 74' ' ' GLU . 1.7 mp -66.25 -39.52 84.49 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.381 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.405 179.408 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.425 HD21 ' HG3' ' A' ' 52' ' ' LYS . 2.4 tm? -59.88 -49.5 77.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.357 -179.327 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -66.34 -43.51 85.86 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.213 0.53 . . . . 0.0 110.351 -179.471 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -62.75 -44.94 94.89 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.634 179.433 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.452 ' HB2' ' O ' ' A' ' 70' ' ' ILE . 4.9 tp10 -66.23 -39.13 89.34 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.344 -176.761 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.492 ' OE1' ' HA ' ' A' ' 75' ' ' GLU . 0.4 OUTLIER -64.39 -34.68 78.72 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 121.039 0.447 . . . . 0.0 110.39 175.218 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.58 -33.35 75.7 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.927 177.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 64.6 m170 -59.84 -44.65 93.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.257 0.551 . . . . 0.0 109.843 174.679 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.528 HD13 ' HG2' ' A' ' 45' ' ' LYS . 64.9 mt -66.3 -37.52 79.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.692 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -55.26 -43.1 74.37 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.059 0.457 . . . . 0.0 109.952 174.168 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.682 ' CZ2' HD13 ' A' ' 96' ' ' LEU . 15.6 t-105 -69.57 -58.29 4.13 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.422 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 26.6 m-70 -58.47 -34.19 70.59 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -172.658 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 25.3 ttpp -72.74 -39.92 66.47 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.994 0.426 . . . . 0.0 110.432 -179.38 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.69 -30.22 65.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.112 0.482 . . . . 0.0 110.638 176.74 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 115.443 -0.799 . . . . 0.0 112.159 -178.411 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.148 0 CA-C-O 120.487 0.184 . . . . 0.0 111.333 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -66.74 -50.64 62.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.876 0.37 . . . . 0.0 110.908 -174.157 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 25.9 mp0 -70.34 -42.83 71.36 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.316 0.579 . . . . 0.0 109.908 176.205 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.52 ' O ' HG23 ' A' ' 97' ' ' VAL . 72.1 t80 -55.05 -53.82 50.96 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.887 -1.051 . . . . 0.0 111.614 -176.707 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.69 -41.31 97.41 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.742 0.306 . . . . 0.0 111.496 -177.759 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 15.7 m -61.8 -39.69 92.61 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.355 0.598 . . . . 0.0 110.383 -179.507 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.682 HD13 ' CZ2' ' A' ' 80' ' ' TRP . 6.2 mt -72.78 -32.84 65.89 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.428 178.289 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 93' ' ' PHE . 79.5 t -64.56 -36.59 77.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.903 0.382 . . . . 0.0 110.881 175.688 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -59.02 -36.11 74.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.088 0.47 . . . . 0.0 110.893 177.448 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -73.86 -34.22 64.4 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.677 179.226 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 6.9 t-160 -60.89 -41.38 95.91 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 173.741 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 50.6 tp -58.45 -48.48 80.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.194 179.51 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -66.77 -35.36 79.91 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 121.051 0.453 . . . . 0.0 110.744 179.615 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -58.89 -47.9 83.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.216 178.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.441 ' O ' ' HB2' ' A' ' 107' ' ' HIS . 15.5 mm-40 -65.57 -23.75 66.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.253 -176.01 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.494 ' O ' ' HG3' ' A' ' 109' ' ' GLU . 78.2 mt-30 -64.61 -40.46 95.55 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.118 176.393 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.508 ' HA ' ' OE1' ' A' ' 109' ' ' GLU . 53.8 mtt180 -62.34 -35.8 80.23 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.155 0.503 . . . . 0.0 109.997 175.789 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.631 ' O ' HG12 ' A' ' 111' ' ' ILE . 16.1 m170 -60.13 -50.05 75.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.682 177.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 104' ' ' GLU . 59.1 t -58.83 -37.79 68.68 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.58 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.508 ' OE1' ' HA ' ' A' ' 106' ' ' ARG . 45.0 mt-10 -58.11 -48.32 80.54 Favored 'General case' 0 N--CA 1.461 0.118 0 CA-C-O 120.94 0.4 . . . . 0.0 110.58 179.576 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.537 ' HB3' ' CG1' ' A' ' 66' ' ' VAL . 21.5 mm-40 -71.45 -38.1 71.32 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.859 179.68 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.631 HG12 ' O ' ' A' ' 107' ' ' HIS . 46.7 mm -62.42 -65.74 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.965 -179.216 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 . . . . . 0 N--CA 1.447 -0.614 0 CA-C-O 121.188 0.518 . . . . 0.0 111.345 -176.199 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.628 ' HB3' ' HE1' ' A' ' 51' ' ' TYR . 75.7 mt . . . . . 0 N--CA 1.47 0.543 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.457 ' O ' ' HG2' ' A' ' 12' ' ' GLN . 82.9 mt -58.91 -29.12 66.82 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.735 -179.132 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -57.22 -34.59 68.72 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.974 -172.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.34 -48.87 73.9 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.973 -0.291 . . . . 0.0 111.342 -176.769 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -70.43 -39.58 74.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.618 178.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.457 ' HG2' ' O ' ' A' ' 8' ' ' LEU . 31.8 mm-40 -62.08 -46.03 90.9 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.8 0.334 . . . . 0.0 110.599 179.014 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.433 ' O ' HG13 ' A' ' 17' ' ' ILE . 51.0 tp60 -65.99 -43.56 87.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.547 -178.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.656 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -58.58 -46.96 92.52 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.991 178.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.503 ' HA ' HD12 ' A' ' 18' ' ' LEU . 77.0 mt -64.06 -39.21 84.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.604 0.24 . . . . 0.0 110.668 178.186 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.416 ' HA ' ' CE ' ' A' ' 19' ' ' LYS . 12.2 tmtt? -58.01 -46.91 84.52 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 179.099 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.433 HG13 ' O ' ' A' ' 13' ' ' GLN . 67.9 mt -66.18 -33.58 64.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.763 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.656 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 97.7 mt -57.85 -39.46 77.77 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.078 177.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.471 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -65.7 -38.45 89.28 Favored 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 121.074 -0.25 . . . . 0.0 110.822 176.775 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.404 ' HA ' ' HD2' ' A' ' 23' ' ' LYS . 5.7 mm-40 -62.5 -40.66 97.43 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.313 0.578 . . . . 0.0 110.1 -179.673 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.566 HG21 HD11 ' A' ' 40' ' ' ILE . 96.1 t -61.21 -45.62 98.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.856 178.19 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 97.4 mt -60.33 -38.0 82.39 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.83 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.471 ' HG3' ' O ' ' A' ' 19' ' ' LYS . 95.7 mttt -60.81 -48.65 80.83 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.792 179.078 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.826 ' HA ' ' HE3' ' A' ' 24' ' ' LYS . 1.1 tpmt? -71.69 -35.81 70.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.799 -175.483 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.467 ' HA ' HD11 ' A' ' 33' ' ' LEU . . . -60.7 -42.08 96.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.048 178.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -72.24 -20.29 61.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.392 179.095 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -82.43 -20.23 37.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.092 0.472 . . . . 0.0 110.009 174.547 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 77.68 25.6 62.47 Favored Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.858 -0.61 . . . . 0.0 112.626 178.054 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.503 ' HB3' ' HE2' ' A' ' 24' ' ' LYS . 18.6 t70 -101.41 125.92 48.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.868 0.365 . . . . 0.0 110.114 179.639 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -95.06 -9.81 32.66 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.359 -173.635 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -70.16 -51.69 29.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.211 -175.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.523 ' HB2' ' CD ' ' A' ' 24' ' ' LYS . 1.1 mp0 -71.44 -37.24 71.42 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.969 178.261 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.467 HD11 ' HA ' ' A' ' 25' ' ' ALA . 18.8 mt -56.19 -36.93 68.95 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -174.323 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.89 -45.12 83.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.144 0.497 . . . . 0.0 110.503 178.116 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' ' 35' ' ' ARG . 23.5 ttt180 -70.2 -40.05 74.82 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.268 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.467 ' O ' HG13 ' A' ' 40' ' ' ILE . 94.2 mt -63.3 -42.44 99.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.857 0.361 . . . . 0.0 110.425 178.706 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -59.7 -38.95 83.0 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.13 176.525 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -70.15 -36.96 75.1 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.468 177.548 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -64.02 -36.21 83.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.044 0.45 . . . . 0.0 110.138 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.566 HD11 HG21 ' A' ' 21' ' ' VAL . 79.1 mt -60.17 -47.3 92.62 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.133 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.71 177.554 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.441 HG13 HG23 ' A' ' 78' ' ' ILE . 57.7 t -54.67 -40.5 51.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.042 -179.287 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -63.18 -44.49 95.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.993 178.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.02 -46.3 68.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.448 -176.55 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.449 ' O ' HG23 ' A' ' 48' ' ' VAL . 8.0 mm-40 -58.87 -47.33 85.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.771 -179.465 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.498 ' HG3' HD13 ' A' ' 78' ' ' ILE . 62.0 mttm -69.87 -30.84 68.4 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.26 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.401 ' O ' HG23 ' A' ' 50' ' ' VAL . 58.9 tp60 -59.65 -42.89 93.81 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 177.05 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.1 -48.05 61.64 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.574 -0.822 . . . . 0.0 111.881 176.485 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 44' ' ' GLU . 77.6 t -55.24 -48.79 76.08 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 CA-C-O 120.822 0.344 . . . . 0.0 111.585 -179.119 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -57.0 -49.41 75.86 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.38 -177.455 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 46' ' ' GLN . 28.1 t -70.32 -37.84 72.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.885 0.374 . . . . 0.0 110.95 -179.522 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.628 ' HE1' ' HB3' ' A' ' 7' ' ' LEU . 10.3 m-30 -63.0 -44.27 96.49 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.503 -179.067 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.463 ' HB2' HD11 ' A' ' 71' ' ' LEU . 34.4 ttpt -62.92 -35.7 80.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.751 0.31 . . . . 0.0 110.794 -177.356 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.8 tm-20 -60.41 -48.83 80.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.601 179.196 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.05 -37.92 66.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.782 -0.645 . . . . 0.0 112.167 -179.433 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.71 -44.73 86.13 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 112.014 0.375 . . . . 0.0 112.014 -175.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -83.24 3.45 31.11 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.969 0.414 . . . . 0.0 110.859 -178.33 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -116.28 -22.23 8.95 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.102 -172.286 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -75.22 144.23 42.73 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.026 -179.214 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 45.3 mtm-85 -93.34 -1.29 56.11 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.798 -179.182 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.524 ' HB2' ' HB3' ' A' ' 63' ' ' LYS . 17.2 m120 -101.2 113.99 65.79 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.726 -176.133 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_exo -57.59 -48.39 17.35 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 123.189 2.593 . . . . 0.0 113.142 -177.457 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.444 ' CD ' ' H ' ' A' ' 62' ' ' GLU . 0.5 OUTLIER -70.24 -38.56 75.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.88 0.372 . . . . 0.0 110.616 -176.779 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.524 ' HB3' ' HB2' ' A' ' 60' ' ' ASN . 87.4 tttt -64.42 -36.2 83.38 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.876 177.773 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 43.2 ttt-85 -67.99 -41.26 82.58 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.478 176.26 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 23.3 tm0? -56.48 -44.05 80.23 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 -179.1 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 88.7 t -58.82 -47.72 88.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.084 0.469 . . . . 0.0 110.317 178.672 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 68.8 mt -64.48 -46.99 91.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.914 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -59.19 -44.41 92.21 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.624 -178.584 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -61.02 -45.37 95.09 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.99 -179.378 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.44 HD13 HD11 ' A' ' 111' ' ' ILE . 83.7 mt -68.84 -41.55 82.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.662 179.727 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.463 HD11 ' HB2' ' A' ' 52' ' ' LYS . 6.5 tt -58.04 -44.51 87.44 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.375 178.845 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -64.44 -42.24 96.09 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.659 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.466 ' HB3' ' CE1' ' A' ' 107' ' ' HIS . 18.6 t0 -67.89 -41.53 82.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.409 0.623 . . . . 0.0 110.649 -178.307 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.445 ' OE1' ' HA ' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -60.8 -41.8 96.36 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.581 -174.295 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.508 ' HA ' HD12 ' A' ' 78' ' ' ILE . 49.6 mm-40 -68.3 -34.43 76.12 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 120.776 0.322 . . . . 0.0 110.644 175.692 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.438 ' HB3' ' O ' ' A' ' 73' ' ' ASP . 64.1 tttm -59.2 -37.07 76.53 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.393 177.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.4 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 57.3 m170 -66.12 -46.35 77.87 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.575 0.702 . . . . 0.0 110.287 176.472 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.508 HD12 ' HA ' ' A' ' 75' ' ' GLU . 75.6 mt -59.59 -37.22 69.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 114.872 -1.058 . . . . 0.0 111.522 -178.312 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -55.16 -41.04 71.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.376 178.7 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 38.7 t-105 -71.25 -54.29 11.4 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 179.248 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 80.1 m-70 -59.37 -32.09 69.82 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 -178.016 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.414 ' HE2' ' HB3' ' A' ' 82' ' ' LYS . 36.6 ttpt -61.62 -42.77 99.35 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.845 0.355 . . . . 0.0 110.705 177.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.84 -28.56 64.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.946 0.403 . . . . 0.0 110.894 179.345 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.424 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.192 179.943 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.389 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -64.42 -49.08 72.94 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -169.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -70.76 -49.69 44.02 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.618 0.723 . . . . 0.0 110.468 177.758 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.464 ' O ' HG23 ' A' ' 97' ' ' VAL . 63.5 t80 -60.19 -37.93 81.72 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.58 -1.191 . . . . 0.0 112.303 -171.53 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.23 -41.47 79.56 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 -178.263 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 10.4 t -69.27 -30.68 68.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.01 0.433 . . . . 0.0 110.681 -176.648 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -72.55 -36.94 68.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.127 179.603 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 93' ' ' PHE . 54.9 t -63.99 -36.67 77.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.087 0.47 . . . . 0.0 110.523 178.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 65.0 mt-30 -61.35 -40.36 94.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.619 178.104 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -63.53 -41.69 98.46 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.311 178.696 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' HIS . . . . . 0.4 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 4.7 t-160 -59.08 -44.31 91.88 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.001 177.625 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.513 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 1.4 tt -64.31 -43.33 95.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.567 -177.472 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -61.15 -35.94 78.45 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.388 0.613 . . . . 0.0 110.53 178.253 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -68.12 -47.3 68.51 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 114.944 -1.025 . . . . 0.0 111.011 -178.22 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -64.85 -28.63 69.69 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.521 -177.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.513 ' HG3' ' O ' ' A' ' 101' ' ' LEU . 27.8 mt-30 -60.87 -36.27 78.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.732 0.301 . . . . 0.0 110.555 179.701 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.12 -40.01 95.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.339 177.545 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.622 ' O ' HG13 ' A' ' 111' ' ' ILE . 64.8 m170 -60.81 -49.94 75.44 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.206 177.696 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 95.9 t -59.55 -40.6 82.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.7 -177.65 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.51 ' HG3' ' O ' ' A' ' 105' ' ' GLN . 49.3 mt-10 -62.0 -38.06 87.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.746 0.308 . . . . 0.0 111.166 -178.855 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -72.06 -29.19 63.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.633 178.029 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.622 HG13 ' O ' ' A' ' 107' ' ' HIS . 23.1 mt -86.11 -64.49 1.06 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.331 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 -177.813 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 . . . . . 0 N--CA 1.464 0.263 0 N-CA-C 112.638 0.606 . . . . 0.0 112.638 -169.765 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.466 HD22 ' CD1' ' A' ' 51' ' ' TYR . 85.1 mt . . . . . 0 N--CA 1.465 0.312 0 N-CA-C 111.75 0.278 . . . . 0.0 111.75 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.429 HD21 HG13 ' A' ' 108' ' ' VAL . 0.9 OUTLIER -71.74 -41.95 67.86 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.849 -174.071 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.6 ttmm -61.33 -32.94 72.82 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.228 -177.512 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.84 -46.53 84.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.961 179.211 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.441 ' HG2' ' OH ' ' A' ' 51' ' ' TYR . 5.5 mm-40 -63.89 -47.31 81.14 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.734 177.858 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -62.82 -32.99 74.29 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.405 -178.681 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.414 ' O ' HG13 ' A' ' 17' ' ' ILE . 46.6 tt0 -65.69 -45.15 83.89 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 176.42 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.648 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -62.27 -46.87 93.02 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.498 -0.858 . . . . 0.0 111.59 175.388 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' ' 11' ' ' GLU . 77.0 mt -60.08 -43.75 93.49 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 C-N-CA 122.525 0.33 . . . . 0.0 110.974 178.749 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 57.0 tptt -54.55 -47.38 73.28 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.601 178.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.527 ' O ' HG23 ' A' ' 21' ' ' VAL . 56.1 mt -68.61 -42.87 83.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.85 179.339 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.648 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 96.1 mt -57.54 -39.78 77.36 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.874 0.368 . . . . 0.0 110.97 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -67.15 -34.1 76.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.271 178.598 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.1 -36.23 77.32 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.964 0.411 . . . . 0.0 110.371 175.508 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 17' ' ' ILE . 82.4 t -59.92 -37.41 71.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.95 178.367 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 98.1 mt -54.97 -46.15 75.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.846 -177.798 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.512 ' NZ ' ' HB3' ' A' ' 23' ' ' LYS . 8.1 mtpm? -69.11 -43.58 74.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.012 0.434 . . . . 0.0 110.944 178.4 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.529 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . 64.6 mttm -71.81 -21.15 61.74 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.583 -175.333 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.67 -34.9 70.08 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 172.283 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -71.73 -27.46 63.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.404 175.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.529 ' HG2' ' HA ' ' A' ' 24' ' ' LYS . 23.4 mm-40 -64.85 -40.25 94.86 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.565 174.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 81.54 32.81 29.67 Favored Glycine 0 N--CA 1.448 -0.548 0 CA-C-N 115.742 -0.663 . . . . 0.0 112.506 176.214 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -105.52 119.93 40.34 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.145 0.497 . . . . 0.0 110.402 177.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -77.02 -32.25 56.93 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.971 -174.406 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -67.87 -40.12 83.65 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.321 0.581 . . . . 0.0 109.711 178.089 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.437 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 35.5 tp10 -60.97 -48.37 82.12 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.032 174.14 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 32.6 mt -57.43 -42.69 82.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.394 -0.821 . . . . 0.0 112.122 -179.113 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.35 -39.97 94.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.876 0.37 . . . . 0.0 111.313 -179.222 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.456 HH11 ' HD2' ' A' ' 35' ' ' ARG . 17.6 ttm105 -65.6 -40.63 92.89 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.4 179.215 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.472 ' O ' HG13 ' A' ' 40' ' ' ILE . 91.6 mt -63.56 -45.61 89.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.269 -179.096 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -56.4 -42.33 77.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.787 -176.751 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.519 ' O ' ' HG2' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -55.76 -48.91 74.47 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.305 179.919 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -65.73 -31.86 73.09 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.394 -178.087 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' ' 36' ' ' LEU . 71.5 mt -66.02 -46.78 87.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.51 179.062 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.9 t -57.84 -41.0 78.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.364 179.183 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.519 ' HG2' ' O ' ' A' ' 38' ' ' GLN . 30.1 mmmt -60.34 -42.72 96.25 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.699 178.377 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.75 -46.68 65.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.205 -177.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.48 ' O ' HG23 ' A' ' 48' ' ' VAL . 13.3 mm-40 -59.71 -44.98 93.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.97 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.469 ' HA ' ' HD3' ' A' ' 45' ' ' LYS . 61.6 mmtt -67.95 -31.92 72.0 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.654 -0.248 . . . . 0.0 111.53 179.754 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 54.9 tp60 -60.15 -43.4 95.79 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 173.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.29 -46.75 93.27 Favored Glycine 0 N--CA 1.446 -0.638 0 CA-C-N 115.277 -0.874 . . . . 0.0 112.01 175.072 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 44' ' ' GLU . 93.0 t -54.34 -42.02 55.75 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-O 120.694 0.283 . . . . 0.0 111.277 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -59.98 -51.46 69.59 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.112 -179.534 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 29.0 m -70.49 -30.43 42.71 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.505 -178.321 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.466 ' CD1' HD22 ' A' ' 7' ' ' LEU . 14.9 m-85 -69.6 -38.07 77.16 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 116.898 -0.137 . . . . 0.0 111.17 178.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -70.02 -37.6 75.66 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 176.424 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -63.21 -37.89 89.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.966 176.016 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.89 -42.3 66.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.039 177.134 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.93 -39.61 90.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.775 0.322 . . . . 0.0 111.322 -179.417 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -82.48 -0.29 45.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.194 178.666 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -116.73 5.5 13.14 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.267 0.556 . . . . 0.0 109.544 177.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.7 148.4 48.05 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.48 -174.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -108.99 118.64 37.33 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.35 177.736 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 73.43 138.0 0.06 OUTLIER Pre-proline 0 N--CA 1.468 0.425 0 O-C-N 123.806 0.691 . . . . 0.0 110.586 -176.226 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_endo -56.54 -31.4 86.32 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 123.31 2.673 . . . . 0.0 113.287 -175.548 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -61.94 -42.26 98.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.883 0.373 . . . . 0.0 111.383 -177.622 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -70.63 -35.4 72.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.887 0.375 . . . . 0.0 110.069 -178.738 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.434 HH11 ' HD2' ' A' ' 64' ' ' ARG . 26.4 ttt85 -66.62 -37.73 85.47 Favored 'General case' 0 C--O 1.221 -0.423 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.327 177.319 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -55.87 -41.06 73.83 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 122.651 0.381 . . . . 0.0 110.843 179.806 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 96.8 t -62.37 -50.46 79.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.066 177.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 59.9 mt -67.13 -38.31 80.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -57.22 -44.55 83.85 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.826 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.427 ' C ' ' HD3' ' A' ' 69' ' ' LYS . 14.0 tmtt? -59.72 -42.92 94.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.533 178.674 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.487 ' O ' ' HG2' ' A' ' 74' ' ' GLU . 65.3 mt -64.75 -45.18 95.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.664 -179.564 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.0 tt -61.05 -48.91 79.58 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.222 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -61.07 -36.08 78.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.925 178.55 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -66.0 -45.65 80.8 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.676 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.492 ' O ' HG13 ' A' ' 78' ' ' ILE . 69.0 mm-40 -60.81 -39.43 88.93 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.45 -177.647 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -61.86 -35.23 77.68 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 120.848 0.356 . . . . 0.0 110.943 178.332 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.0 tmmt? -68.28 -33.62 74.69 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.02 177.019 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.549 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 53.2 m170 -65.14 -49.25 70.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.378 0.609 . . . . 0.0 110.115 177.335 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.62 ' O ' ' HG3' ' A' ' 82' ' ' LYS . 51.5 mt -63.01 -38.66 82.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.395 -178.204 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -56.94 -39.84 75.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.47 179.763 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.567 ' HZ2' ' HA ' ' A' ' 93' ' ' PHE . 16.9 t-105 -64.69 -52.35 57.7 Favored 'General case' 0 N--CA 1.457 -0.119 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.462 175.654 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 60.2 m-70 -56.72 -33.04 66.11 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.481 0.548 . . . . 0.0 112.481 -175.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.62 ' HG3' ' O ' ' A' ' 78' ' ' ILE . 80.4 mttt -61.87 -48.36 80.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.26 0.552 . . . . 0.0 110.316 177.212 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.71 -31.8 67.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.46 -177.248 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.434 0 CA-C-N 115.398 -0.819 . . . . 0.0 112.751 -174.337 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.353 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -65.73 -41.36 92.3 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.646 -174.337 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -63.04 -35.2 79.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.66 0.743 . . . . 0.0 109.73 -179.511 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.567 ' HA ' ' HZ2' ' A' ' 80' ' ' TRP . 71.2 t80 -71.42 -50.72 29.07 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.937 -1.028 . . . . 0.0 110.316 178.086 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.15 -44.33 92.1 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.765 -177.758 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 23.1 t -59.3 -44.36 92.53 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.953 0.406 . . . . 0.0 110.863 -179.294 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 8.5 mp -72.82 -32.12 65.28 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.516 179.218 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 93' ' ' PHE . 49.0 t -61.6 -37.42 77.87 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 175.056 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -58.27 -38.79 77.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.841 0.353 . . . . 0.0 110.764 175.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -67.97 -41.58 82.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.096 179.052 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' HIS . . . . . 0.549 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 9.4 t-160 -60.35 -43.14 96.77 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.769 176.383 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.428 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 50.9 tp -58.85 -48.5 81.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.111 179.616 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.547 ' O ' ' HD3' ' A' ' 106' ' ' ARG . 32.1 mm-40 -65.32 -39.51 92.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.164 0.507 . . . . 0.0 110.463 178.638 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -57.52 -49.21 77.08 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.09 -0.959 . . . . 0.0 111.008 -178.337 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.404 ' HG2' ' O ' ' A' ' 100' ' ' HIS . 14.8 mm-40 -68.2 -32.63 72.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.465 -177.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.46 ' O ' ' HG3' ' A' ' 109' ' ' GLU . 28.6 mt-30 -61.67 -41.65 97.84 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.395 178.75 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.547 ' HD3' ' O ' ' A' ' 102' ' ' GLN . 3.4 mpt_? -66.43 -32.51 73.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.475 178.65 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 41.1 m170 -63.46 -46.41 86.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.445 174.788 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.429 HG13 HD21 ' A' ' 8' ' ' LEU . 79.2 t -62.44 -41.74 92.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.783 178.3 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.46 ' HG3' ' O ' ' A' ' 105' ' ' GLN . 47.5 mt-10 -59.13 -33.4 70.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.567 178.863 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -69.34 -48.1 62.39 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.901 0.381 . . . . 0.0 110.597 177.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 47.5 mm -72.41 -47.93 49.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.641 -175.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 . . . . . 0 C--N 1.324 -0.52 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.537 -176.821 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 78.6 mt . . . . . 0 C--O 1.235 0.291 0 N-CA-C 111.642 0.238 . . . . 0.0 111.642 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 84.3 mt -60.04 -36.69 77.85 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.998 0.428 . . . . 0.0 111.016 179.555 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.604 ' HA ' ' HE3' ' A' ' 9' ' ' LYS . 0.4 OUTLIER -61.76 -34.76 76.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.974 -0.557 . . . . 0.0 112.005 -174.543 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.77 -49.17 74.01 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 121.011 -0.276 . . . . 0.0 111.654 -174.203 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -70.31 -43.77 69.65 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.712 0.292 . . . . 0.0 110.711 178.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 73.4 mm-40 -58.57 -41.83 86.59 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.231 179.412 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.439 ' HB2' ' HE2' ' A' ' 9' ' ' LYS . 25.1 tt0 -69.4 -42.87 74.52 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.611 -178.44 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.563 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -58.88 -46.61 93.33 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.788 -0.72 . . . . 0.0 111.901 178.564 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.493 ' HA ' HD12 ' A' ' 18' ' ' LEU . 79.2 mt -60.93 -39.2 81.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.011 0.434 . . . . 0.0 110.871 177.849 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.7 tttm -64.93 -40.97 95.87 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.854 -177.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 65.3 mt -69.38 -36.46 72.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.528 178.291 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 97.0 mt -57.8 -36.98 72.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.979 178.27 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? -62.55 -37.26 85.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.156 179.615 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -66.55 -34.83 78.77 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.175 0.512 . . . . 0.0 110.334 179.031 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.494 HG21 HD11 ' A' ' 40' ' ' ILE . 58.8 t -64.35 -38.89 83.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.649 179.294 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 96.8 mt -61.13 -39.26 89.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.074 0.464 . . . . 0.0 110.589 177.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.521 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 92.7 mttt -65.59 -37.85 87.84 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.738 179.149 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 35.4 mmtm -83.15 -18.46 39.37 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.64 -177.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.446 ' HB1' ' HB2' ' A' ' 94' ' ' ALA . . . -67.45 -39.38 85.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.833 178.454 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.521 ' HG2' ' O ' ' A' ' 23' ' ' LYS . 65.2 pttt -71.96 -28.58 63.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.326 178.417 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -72.57 -33.38 66.73 Favored 'General case' 0 C--O 1.231 0.105 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 175.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 71.29 45.15 50.11 Favored Glycine 0 N--CA 1.448 -0.507 0 CA-C-N 115.771 -0.649 . . . . 0.0 113.614 171.54 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -126.42 130.18 50.2 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.013 174.23 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.558 ' HA ' ' HB2' ' A' ' 33' ' ' LEU . 42.1 tt0 -79.84 -18.95 49.53 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.798 -174.43 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -58.65 -48.3 81.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.021 0.438 . . . . 0.0 110.091 -178.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -72.93 -44.97 60.57 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.991 175.3 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.558 ' HB2' ' HA ' ' A' ' 30' ' ' GLU . 47.4 mt -57.19 -45.17 83.98 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.046 -0.524 . . . . 0.0 112.038 -176.102 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.53 -45.49 93.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.653 -0.249 . . . . 0.0 111.277 -177.587 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -66.44 -44.32 83.16 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.837 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.519 ' O ' HG13 ' A' ' 40' ' ' ILE . 92.3 mt -60.01 -42.3 94.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.187 177.87 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.423 ' O ' HG23 ' A' ' 41' ' ' VAL . 65.0 t30 -61.36 -40.77 95.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.059 177.573 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -63.36 -38.77 92.43 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.444 178.23 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -65.04 -36.83 85.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.64 176.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.519 HG13 ' O ' ' A' ' 36' ' ' LEU . 82.1 mt -62.27 -47.31 93.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.474 177.362 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 37' ' ' ASN . 92.8 t -53.46 -53.09 26.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.327 179.194 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.427 ' HB3' ' HE2' ' A' ' 42' ' ' LYS . 48.2 mtpt -63.97 -39.44 94.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.771 -179.512 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.45 -46.5 79.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.359 -178.093 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.451 ' O ' HG23 ' A' ' 48' ' ' VAL . 36.4 mt-10 -69.69 -38.83 77.13 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.005 -178.308 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.518 ' HG3' HD13 ' A' ' 78' ' ' ILE . 59.2 mttm -66.12 -32.74 74.38 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 121.063 -0.255 . . . . 0.0 111.232 177.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 53.1 tp60 -63.61 -39.83 95.36 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 174.488 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.82 -44.99 93.93 Favored Glycine 0 N--CA 1.447 -0.596 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.398 174.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 44' ' ' GLU . 78.6 t -55.53 -39.86 56.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.708 0.29 . . . . 0.0 110.832 176.772 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.5 tmtt? -63.09 -49.52 74.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.674 -179.305 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 16.1 m -69.6 -32.69 53.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 C-N-CA 120.756 -0.378 . . . . 0.0 111.356 -179.38 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -67.56 -42.98 81.74 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.989 -0.284 . . . . 0.0 110.434 176.363 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.587 ' HA ' ' HE2' ' A' ' 52' ' ' LYS . 0.7 OUTLIER -59.55 -43.53 93.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.895 0.379 . . . . 0.0 111.105 176.393 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -67.04 -48.5 68.14 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.926 -178.804 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.0 -34.92 73.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.994 -176.425 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.58 -48.28 78.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.838 0.351 . . . . 0.0 111.498 -177.516 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -72.25 -21.94 61.31 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.124 -177.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -96.6 0.37 49.84 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.395 178.358 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.1 127.67 33.34 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.731 -179.517 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -78.4 -23.28 46.83 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.234 -179.166 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -105.36 117.79 57.39 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-O 120.804 0.335 . . . . 0.0 110.79 179.601 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -64.56 -34.68 51.57 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 123.211 2.607 . . . . 0.0 113.299 -178.262 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -60.66 -43.57 97.47 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.116 0.484 . . . . 0.0 110.048 -179.187 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 1.045 ' HA ' ' HE3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -71.18 -32.51 68.97 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.493 179.295 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -63.91 -40.31 96.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.615 178.109 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -39.33 84.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.517 178.43 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 85.9 t -62.95 -45.04 99.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.499 176.78 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 65.6 mt -65.33 -38.21 82.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.491 178.27 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -61.59 -40.3 94.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.719 177.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -59.44 -45.11 92.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.788 176.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.463 ' O ' ' HB2' ' A' ' 74' ' ' GLU . 69.9 mt -70.4 -41.74 78.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.52 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.434 HD21 ' HG2' ' A' ' 52' ' ' LYS . 1.4 tm? -55.76 -48.67 74.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.521 179.498 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.81 -40.98 97.92 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.545 -178.298 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.441 ' HB3' ' CE1' ' A' ' 107' ' ' HIS . 24.7 t0 -72.17 -42.89 65.36 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.118 -177.646 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.463 ' HB2' ' O ' ' A' ' 70' ' ' ILE . 1.7 tp10 -63.56 -41.31 98.41 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.636 -169.472 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.483 ' HA ' HD12 ' A' ' 78' ' ' ILE . 22.0 mm-40 -64.07 -35.48 80.89 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.877 0.37 . . . . 0.0 110.726 176.022 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -64.18 -33.11 75.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.372 179.689 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.586 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 64.6 m170 -62.31 -48.08 81.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.327 0.584 . . . . 0.0 110.134 176.353 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.518 HD13 ' HG3' ' A' ' 45' ' ' LYS . 52.7 mt -59.82 -48.85 86.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 114.802 -1.09 . . . . 0.0 110.701 -179.222 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -63.53 -32.97 74.59 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.61 177.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.413 ' HA ' ' CE3' ' A' ' 80' ' ' TRP . 4.3 t-105 -67.89 -49.06 64.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.505 -179.04 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -58.98 -36.74 75.37 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.686 177.111 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -69.3 -43.18 74.33 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.09 0.471 . . . . 0.0 110.49 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.63 -27.14 62.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.852 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 115.975 -0.557 . . . . 0.0 112.275 -175.745 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.592 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -65.52 -37.09 85.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.983 0.421 . . . . 0.0 111.252 -177.391 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -68.1 -42.26 80.57 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.51 -178.47 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -61.92 -42.39 99.04 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.23 175.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.446 ' HB2' ' HB1' ' A' ' 25' ' ' ALA . . . -58.22 -36.95 73.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.549 175.372 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 37.6 m -65.06 -35.99 82.92 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.66 179.107 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 9.8 mp -67.72 -33.84 75.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.427 176.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.414 HG13 HD22 ' A' ' 18' ' ' LEU . 61.5 t -65.31 -39.63 85.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.02 175.567 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.444 ' HG3' ' O ' ' A' ' 94' ' ' ALA . 52.1 mt-30 -64.03 -36.13 83.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.95 0.405 . . . . 0.0 110.421 177.485 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -63.39 -41.85 98.78 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.04 174.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' HIS . . . . . 0.586 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 3.1 t-160 -60.05 -42.26 94.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.223 177.475 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.487 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 3.0 mm? -57.56 -49.55 75.99 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.593 -179.747 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 86.9 mm-40 -64.28 -36.34 83.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.41 0.624 . . . . 0.0 110.501 -178.427 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -65.52 -47.24 76.64 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.794 -179.274 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.413 ' O ' HG23 ' A' ' 108' ' ' VAL . 14.5 mm-40 -70.95 -30.77 67.16 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.102 -178.576 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.571 ' O ' ' HG3' ' A' ' 109' ' ' GLU . 95.0 mt-30 -61.11 -36.28 79.3 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.971 0.415 . . . . 0.0 110.194 177.133 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.41 ' HD2' ' OE1' ' A' ' 109' ' ' GLU . 13.5 mmm180 -67.5 -39.28 85.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.527 176.012 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.656 ' O ' HG13 ' A' ' 111' ' ' ILE . 54.6 m170 -61.29 -45.62 93.72 Favored 'General case' 0 CA--C 1.521 -0.136 0 CA-C-O 121.077 0.465 . . . . 0.0 110.159 174.551 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 104' ' ' GLU . 50.9 t -56.56 -39.4 62.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.643 179.661 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.571 ' HG3' ' O ' ' A' ' 105' ' ' GLN . 49.9 mt-10 -64.74 -35.17 80.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.916 0.389 . . . . 0.0 111.055 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.98 -37.74 75.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.812 176.416 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.656 HG13 ' O ' ' A' ' 107' ' ' HIS . 15.2 mt -82.52 -69.73 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.624 -175.747 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 . . . . . 0 N--CA 1.451 -0.377 0 CA-C-O 121.933 0.873 . . . . 0.0 111.503 -173.397 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 49.2 mt . . . . . 0 C--O 1.231 0.084 0 CA-C-O 121.026 0.441 . . . . 0.0 110.645 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.761 HD11 HG13 ' A' ' 108' ' ' VAL . 50.7 tp -60.29 -34.71 74.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.45 -177.635 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm -64.11 -32.73 74.41 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.476 -178.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.46 -44.62 92.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.901 0.381 . . . . 0.0 110.832 178.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -64.59 -42.3 95.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.716 178.33 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 76.6 mm-40 -65.48 -36.73 84.73 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.113 178.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.466 ' O ' HG13 ' A' ' 17' ' ' ILE . 24.6 tp60 -61.93 -44.36 96.93 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 177.048 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.545 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -59.5 -46.22 94.29 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.645 -0.788 . . . . 0.0 111.919 176.095 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.462 HG23 HD12 ' A' ' 101' ' ' LEU . 85.9 mt -57.14 -44.94 84.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.907 0.384 . . . . 0.0 111.154 177.755 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -60.16 -44.91 94.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.712 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.466 HG13 ' O ' ' A' ' 13' ' ' GLN . 59.6 mt -68.95 -36.11 72.41 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.729 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 80.9 mt -57.32 -40.09 77.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.194 179.543 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -66.76 -35.21 79.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.231 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -72.68 -34.79 67.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.574 -0.284 . . . . 0.0 110.509 177.295 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.536 HG21 HD11 ' A' ' 40' ' ' ILE . 70.5 t -64.12 -40.83 90.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.608 176.262 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 87.3 mt -55.42 -39.11 69.83 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-O 121.057 0.456 . . . . 0.0 110.586 176.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.541 ' O ' ' HG3' ' A' ' 27' ' ' GLU . 95.6 mttt -66.95 -46.97 73.07 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.466 178.381 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.7 ' HE2' ' HG2' ' A' ' 32' ' ' GLU . 38.2 mmtm -68.98 -31.79 70.89 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.349 -0.387 . . . . 0.0 112.015 -177.111 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.66 -35.34 72.8 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.036 0.446 . . . . 0.0 110.217 175.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -70.76 -38.16 73.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.648 176.475 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.541 ' HG3' ' O ' ' A' ' 23' ' ' LYS . 43.8 mt-10 -69.46 -37.96 77.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.728 177.618 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 88.22 30.73 15.93 Favored Glycine 0 N--CA 1.445 -0.7 0 C-N-CA 121.062 -0.59 . . . . 0.0 112.084 179.506 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.702 ' O ' ' HB2' ' A' ' 33' ' ' LEU . 20.1 t70 -100.55 109.24 21.32 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 179.617 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -77.69 -20.78 53.05 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.512 -174.017 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -69.81 -50.64 40.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.646 0.26 . . . . 0.0 110.999 -176.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.7 ' HG2' ' HE2' ' A' ' 24' ' ' LYS . 5.6 tp10 -73.97 -38.49 64.16 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.985 0.421 . . . . 0.0 109.884 176.567 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.702 ' HB2' ' O ' ' A' ' 29' ' ' ASP . 0.8 OUTLIER -58.75 -46.23 87.91 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.996 -176.278 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.23 -45.08 93.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.788 0.328 . . . . 0.0 110.528 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -59.07 -47.93 83.44 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.033 177.3 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.486 ' O ' HG13 ' A' ' 40' ' ' ILE . 81.0 mt -63.04 -44.56 95.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.559 178.579 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -56.45 -46.66 80.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.123 176.661 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.552 ' HA ' ' OE1' ' A' ' 38' ' ' GLN . 7.4 mm-40 -59.8 -44.84 93.76 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 115.296 -0.865 . . . . 0.0 111.423 178.035 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -64.67 -35.08 79.89 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.404 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.536 HD11 HG21 ' A' ' 21' ' ' VAL . 63.6 mt -62.65 -49.55 83.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.619 0.247 . . . . 0.0 110.476 177.523 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.647 HG13 HG23 ' A' ' 78' ' ' ILE . 84.4 t -54.63 -44.78 71.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.997 0.427 . . . . 0.0 110.676 178.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.6 mtpm? -63.42 -40.53 97.42 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.352 179.116 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.55 -46.3 66.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.181 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.473 ' O ' HG23 ' A' ' 48' ' ' VAL . 5.3 mm-40 -57.74 -47.08 83.46 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.761 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.566 ' HG3' HD13 ' A' ' 78' ' ' ILE . 56.6 mttm -69.97 -32.35 70.53 Favored 'General case' 0 CA--C 1.52 -0.197 0 N-CA-C 111.968 0.359 . . . . 0.0 111.968 -179.015 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 48.2 tp60 -64.61 -38.39 90.84 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 175.764 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -65.3 -47.06 83.91 Favored Glycine 0 N--CA 1.447 -0.608 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.448 174.042 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 44' ' ' GLU . 73.6 t -54.12 -41.85 52.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.008 0.432 . . . . 0.0 110.358 176.56 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -59.15 -51.49 69.78 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.326 -178.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 8.0 m -71.9 -32.0 42.84 Favored 'Isoleucine or valine' 0 C--O 1.237 0.418 0 N-CA-C 112.254 0.465 . . . . 0.0 112.254 -178.316 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -69.84 -51.23 35.27 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.498 0.19 . . . . 0.0 111.099 177.232 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -57.67 -36.56 72.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.158 -0.473 . . . . 0.0 109.999 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -56.9 -49.27 76.09 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.481 176.323 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.84 -35.62 64.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.883 -178.448 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.06 -46.12 79.05 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -173.055 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -81.27 -4.28 55.08 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.735 0.303 . . . . 0.0 111.595 -175.778 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 39.0 mtmt -118.32 17.92 13.78 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.135 0.493 . . . . 0.0 110.603 177.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -84.06 130.95 34.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.488 177.192 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 60.9 mtt180 -98.67 22.65 9.69 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.411 -176.438 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.414 ' O ' ' HB2' ' A' ' 64' ' ' ARG . 26.0 t-20 -141.18 118.06 7.6 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.197 176.735 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -63.35 -32.55 72.15 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.99 2.46 . . . . 0.0 113.343 -175.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -66.38 -43.88 84.67 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.104 0.478 . . . . 0.0 110.466 -176.477 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.403 ' O ' HG13 ' A' ' 67' ' ' ILE . 62.9 mttm -75.81 -33.71 60.13 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.215 176.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.414 ' HB2' ' O ' ' A' ' 60' ' ' ASN . 2.1 tmt_? -59.24 -43.42 92.4 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.359 -178.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -63.58 -42.18 98.32 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.028 179.499 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 91.8 t -59.52 -49.02 85.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.751 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 63' ' ' LYS . 63.1 mt -60.33 -40.9 85.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.973 -179.087 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -65.79 -44.24 86.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.662 -0.245 . . . . 0.0 111.327 -178.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -59.55 -44.64 93.19 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.715 0.293 . . . . 0.0 110.906 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.491 HG23 ' ND1' ' A' ' 107' ' ' HIS . 38.5 mt -68.74 -38.02 78.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.048 178.102 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.404 HD22 ' HA ' ' A' ' 71' ' ' LEU . 0.8 OUTLIER -55.98 -49.47 73.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.35 179.129 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -67.59 -35.43 78.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.612 179.457 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.463 ' HB3' ' CE1' ' A' ' 107' ' ' HIS . 0.4 OUTLIER -63.26 -43.8 96.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.286 0.565 . . . . 0.0 110.296 178.593 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -62.49 -41.58 98.89 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.133 -0.939 . . . . 0.0 110.903 -174.505 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.549 ' HA ' HD12 ' A' ' 78' ' ' ILE . 55.7 mm-40 -66.73 -34.86 78.77 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.878 0.37 . . . . 0.0 110.888 174.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -60.63 -35.78 77.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.415 178.468 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.509 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 44.4 m170 -63.35 -47.92 80.14 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.752 0.786 . . . . 0.0 109.735 177.103 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.647 HG23 HG13 ' A' ' 41' ' ' VAL . 63.7 mt -60.19 -38.04 75.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 114.394 -1.276 . . . . 0.0 111.116 -178.711 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -55.79 -40.11 72.21 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.805 177.239 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.422 ' CZ2' HD22 ' A' ' 96' ' ' LEU . 19.3 t-105 -70.13 -54.86 11.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.921 177.534 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 49.8 m-70 -56.29 -41.28 75.64 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 111.793 0.294 . . . . 0.0 111.793 -177.245 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 46.6 tttm -63.99 -40.2 95.84 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.987 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -73.39 -33.34 64.96 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 178.338 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.513 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 -169.955 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 -0.117 0 CA-C-O 121.315 0.578 . . . . 0.0 110.071 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.432 ' HG3' ' H ' ' A' ' 91' ' ' GLU . 0.0 OUTLIER -62.06 -46.7 87.95 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.512 -179.893 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.409 ' H ' ' CD ' ' A' ' 91' ' ' GLU . 5.2 tp-100 -67.47 -45.68 75.23 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.388 0.613 . . . . 0.0 110.053 178.854 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.65 ' O ' HG23 ' A' ' 97' ' ' VAL . 51.5 t80 -57.07 -43.62 82.25 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.02 -0.991 . . . . 0.0 111.332 -177.58 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.64 -45.55 81.53 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 -175.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.585 ' O ' ' HG2' ' A' ' 98' ' ' GLN . 39.0 m -65.0 -35.92 82.74 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.426 -178.014 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.422 HD22 ' CZ2' ' A' ' 80' ' ' TRP . 10.7 mp -74.66 -32.63 62.31 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -179.122 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 93' ' ' PHE . 84.2 t -61.5 -35.07 64.49 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -175.174 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.585 ' HG2' ' O ' ' A' ' 95' ' ' SER . 13.8 pt20 -56.78 -32.06 65.26 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 116.773 -0.194 . . . . 0.0 111.295 -176.879 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -67.53 -41.34 84.51 Favored 'General case' 0 C--O 1.226 -0.176 0 CA-C-N 116.879 -0.146 . . . . 0.0 111.07 178.281 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' HIS . . . . . 0.509 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 9.8 t-160 -61.45 -38.8 88.51 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 177.873 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.545 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 46.7 tp -58.86 -48.77 80.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.828 178.336 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -68.93 -37.06 78.66 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 121.084 0.468 . . . . 0.0 111.036 178.192 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -59.25 -49.29 78.4 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.51 -177.487 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.53 ' O ' HG23 ' A' ' 108' ' ' VAL . 20.8 mm-40 -66.44 -29.59 69.76 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.998 -0.281 . . . . 0.0 110.638 -178.228 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.545 ' HG3' ' O ' ' A' ' 101' ' ' LEU . 77.2 mt-30 -63.54 -36.49 83.95 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 174.613 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.441 ' HD3' ' HA ' ' A' ' 106' ' ' ARG . 27.8 mmt180 -72.76 -32.79 65.9 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.34 176.08 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.491 ' ND1' HG23 ' A' ' 70' ' ' ILE . 15.2 m170 -59.95 -44.93 94.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.442 0.639 . . . . 0.0 109.544 171.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.761 HG13 HD11 ' A' ' 8' ' ' LEU . 87.0 t -62.92 -36.56 76.17 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.322 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.054 176.734 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.518 ' HG2' ' O ' ' A' ' 105' ' ' GLN . 19.0 mm-40 -56.18 -35.06 66.82 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.081 0.467 . . . . 0.0 111.306 179.104 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -71.61 -35.14 70.38 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.337 178.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 25.8 mt -86.08 -48.94 15.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.153 0.501 . . . . 0.0 111.069 -176.113 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.412 ' O ' ' HG3' ' A' ' 112' ' ' GLU . 53.3 tp10 . . . . . 0 N--CA 1.446 -0.63 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.865 -176.075 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 89.8 mt . . . . . 0 C--O 1.233 0.214 0 CA-C-O 120.835 0.35 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.851 HD21 HG21 ' A' ' 111' ' ' ILE . 80.1 mt -66.3 -31.94 73.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.233 -176.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -60.13 -34.75 73.95 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.706 -178.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.554 ' HB1' ' HA2' ' A' ' 47' ' ' GLY . . . -71.92 -46.94 55.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.559 -178.14 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -63.09 -39.02 93.46 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.158 0.504 . . . . 0.0 109.701 177.667 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 77.1 mm-40 -65.41 -33.19 75.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.494 177.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 59.2 tp60 -64.27 -46.5 83.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.301 -179.582 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.547 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -59.4 -45.83 94.86 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.747 -0.739 . . . . 0.0 111.897 177.788 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.459 ' HA ' HD12 ' A' ' 18' ' ' LEU . 79.9 mt -58.37 -41.15 80.65 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-O 120.733 0.301 . . . . 0.0 110.961 178.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.53 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 57.5 tttm -64.65 -47.07 79.86 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 121.029 -0.269 . . . . 0.0 110.56 179.665 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.518 ' O ' HG23 ' A' ' 21' ' ' VAL . 65.7 mt -62.94 -34.17 64.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.558 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 83.6 mt -57.42 -42.64 82.77 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.03 0.443 . . . . 0.0 110.42 174.764 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.424 ' NZ ' ' HB3' ' A' ' 19' ' ' LYS . 8.7 mtpm? -67.02 -38.45 85.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.867 178.377 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.53 ' HG2' ' O ' ' A' ' 16' ' ' LYS . 53.8 mm-40 -62.82 -43.26 99.28 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 121.134 0.492 . . . . 0.0 109.859 178.201 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 17' ' ' ILE . 88.7 t -62.38 -40.79 89.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.122 -179.649 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.524 HD21 ' HB ' ' A' ' 97' ' ' VAL . 82.8 mt -55.11 -40.44 70.48 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.147 0.499 . . . . 0.0 111.144 179.528 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -66.87 -45.07 79.26 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.845 -178.224 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.3 tppt? -77.41 -28.44 52.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.934 0.397 . . . . 0.0 111.246 -178.365 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.73 -32.03 73.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.517 178.051 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -71.5 -32.0 67.73 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 176.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -65.65 -42.81 90.99 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.929 174.215 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 84.36 42.13 7.59 Favored Glycine 0 N--CA 1.449 -0.478 0 CA-C-N 115.735 -0.666 . . . . 0.0 112.636 176.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -91.75 111.21 22.64 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.021 -0.362 . . . . 0.0 110.021 178.833 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -61.7 -39.52 91.77 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.689 -177.179 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -68.95 -48.16 63.9 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.026 -173.709 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.472 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 42.2 mt-10 -71.55 -37.69 71.08 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.045 178.829 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 33' ' ' LEU . 7.1 mt -58.78 -36.41 74.36 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 111.613 0.227 . . . . 0.0 111.613 179.183 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.91 -42.24 98.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.166 0.508 . . . . 0.0 110.387 177.245 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 23.0 ttm180 -71.29 -35.35 71.28 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.428 177.036 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' A' ' 32' ' ' GLU . 81.1 mt -62.72 -39.83 95.26 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.64 -0.254 . . . . 0.0 110.827 176.361 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.454 ' O ' HG23 ' A' ' 41' ' ' VAL . 3.5 t-20 -57.43 -45.28 84.85 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 174.254 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.428 ' HA ' ' OE1' ' A' ' 38' ' ' GLN . 14.4 mm-40 -62.85 -44.6 95.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.991 176.175 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -61.71 -42.98 99.67 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.205 -177.422 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 36' ' ' LEU . 65.8 mt -59.62 -45.14 94.47 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-O 120.634 0.254 . . . . 0.0 110.468 179.029 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 37' ' ' ASN . 84.8 t -59.2 -46.33 92.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.268 179.129 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -64.11 -36.71 84.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.505 178.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.26 -48.2 57.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.323 -177.174 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.609 ' O ' HG23 ' A' ' 48' ' ' VAL . 7.8 mm-40 -62.83 -44.7 95.44 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.097 -0.502 . . . . 0.0 109.974 179.537 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.467 ' HA ' ' HD3' ' A' ' 45' ' ' LYS . 55.9 mmtt -60.28 -33.94 73.05 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.822 178.412 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 50.1 tp60 -60.75 -43.6 97.76 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 177.744 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.554 ' HA2' ' HB1' ' A' ' 10' ' ' ALA . . . -70.15 -46.39 50.91 Favored Glycine 0 N--CA 1.448 -0.553 0 CA-C-N 115.483 -0.78 . . . . 0.0 112.646 177.211 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.609 HG23 ' O ' ' A' ' 44' ' ' GLU . 48.7 t -59.53 -41.92 86.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 122.874 -0.192 . . . . 0.0 111.447 -176.812 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 48.7 tttp -56.64 -49.57 74.63 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.29 -176.552 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 24.3 m -70.65 -35.04 59.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -69.37 -36.68 77.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.506 0.193 . . . . 0.0 111.0 177.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -56.62 -43.17 79.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.712 0.291 . . . . 0.0 110.81 176.543 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -68.57 -45.99 70.62 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.469 176.275 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.7 -33.03 74.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.525 -0.761 . . . . 0.0 112.494 -174.362 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.53 -42.5 78.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.025 0.441 . . . . 0.0 111.728 -177.688 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -99.36 14.39 29.85 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.976 -178.366 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -127.78 15.65 6.94 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 174.612 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.52 141.92 53.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.921 -1.036 . . . . 0.0 111.467 -177.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 83.2 mtm180 -79.85 -25.29 40.8 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.897 -178.123 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.554 ' HB2' ' HG2' ' A' ' 63' ' ' LYS . 16.1 m120 -128.43 135.25 27.27 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.369 -177.228 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -57.7 -38.26 93.82 Favored 'Trans proline' 0 CA--C 1.53 0.306 0 C-N-CA 122.79 2.327 . . . . 0.0 112.611 178.605 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -64.49 -35.94 82.57 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 121.021 0.439 . . . . 0.0 110.6 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.554 ' HG2' ' HB2' ' A' ' 60' ' ' ASN . 72.8 mmtt -71.27 -33.73 70.03 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.406 -178.625 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 23.5 ttt180 -64.27 -39.32 93.69 Favored 'General case' 0 C--O 1.227 -0.12 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 175.438 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -55.44 -44.06 75.96 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.146 177.1 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 87.7 t -65.28 -50.89 70.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.875 177.452 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 63' ' ' LYS . 76.2 mt -60.64 -43.74 95.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.234 -177.541 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -66.4 -39.86 89.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.753 0.311 . . . . 0.0 110.684 -178.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -59.89 -42.45 93.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.219 0.533 . . . . 0.0 109.601 177.017 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 45.6 mt -70.61 -38.08 72.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.832 176.106 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 16.2 mt -55.6 -39.58 70.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.854 0.359 . . . . 0.0 111.53 176.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -68.42 -41.19 80.73 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.826 174.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.435 ' HB3' ' CE1' ' A' ' 107' ' ' HIS . 0.2 OUTLIER -71.81 -47.38 53.68 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.635 -0.711 . . . . 0.0 112.216 -174.74 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.588 ' HB3' HG22 ' A' ' 48' ' ' VAL . 1.2 tp10 -60.93 -36.84 80.38 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.952 -172.349 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.604 ' OE2' HG11 ' A' ' 48' ' ' VAL . 65.3 mm-40 -69.45 -41.49 76.18 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.275 0.559 . . . . 0.0 110.388 173.212 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -59.72 -34.33 72.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.681 179.389 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.582 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 62.5 m170 -64.13 -47.89 78.21 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.485 177.321 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.417 HG13 ' O ' ' A' ' 74' ' ' GLU . 62.9 mt -58.59 -49.75 81.37 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.78 -178.088 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -63.79 -34.2 77.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.806 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 30.6 t-105 -61.13 -56.56 19.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.561 179.126 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.454 ' HE1' HG22 ' A' ' 97' ' ' VAL . 50.1 m-70 -60.08 -46.4 89.72 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -179.292 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.46 ' HA ' ' HD2' ' A' ' 82' ' ' LYS . 39.3 tptt -62.83 -44.01 97.27 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.769 -0.372 . . . . 0.0 111.133 -174.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.34 -36.07 82.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.893 0.378 . . . . 0.0 111.307 -178.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.45 0 CA-C-O 121.019 0.438 . . . . 0.0 111.311 -179.326 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.232 0 CA-C-O 120.836 0.351 . . . . 0.0 111.365 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -69.41 -40.06 77.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.883 0.373 . . . . 0.0 111.02 -175.58 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -64.34 -34.83 79.05 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.234 0.54 . . . . 0.0 109.933 178.099 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -67.98 -38.68 83.01 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.221 176.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.24 -33.42 75.78 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.073 178.192 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 21.5 t -63.64 -33.08 74.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.36 178.718 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 9.8 mp -69.95 -35.05 74.2 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.543 177.14 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.524 ' HB ' HD21 ' A' ' 22' ' ' LEU . 39.9 t -65.24 -34.54 71.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.229 178.039 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -56.4 -45.1 80.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.07 179.623 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -67.89 -37.73 82.12 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.057 0.456 . . . . 0.0 110.256 178.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' HIS . . . . . 0.582 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 3.9 t-160 -60.15 -43.09 96.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.861 177.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.497 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 51.7 tp -62.93 -48.32 79.44 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.937 -179.528 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -58.52 -38.96 78.81 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 121.449 0.642 . . . . 0.0 110.039 177.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -65.19 -49.39 69.94 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.814 -1.085 . . . . 0.0 111.85 -178.564 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.435 ' O ' ' HB2' ' A' ' 107' ' ' HIS . 27.2 mm-40 -65.44 -26.59 68.03 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.585 0.231 . . . . 0.0 110.712 -177.709 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.497 ' HG3' ' O ' ' A' ' 101' ' ' LEU . 29.1 mt-30 -61.53 -41.03 96.73 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.219 175.449 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 64.0 mtt180 -72.55 -29.72 63.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.942 176.252 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.539 ' O ' HG12 ' A' ' 111' ' ' ILE . 14.7 m170 -57.26 -45.38 84.08 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 173.265 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 104' ' ' GLU . 28.1 t -68.83 -35.77 71.05 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.141 176.88 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.401 ' HG3' ' O ' ' A' ' 105' ' ' GLN . 36.4 mt-10 -55.75 -45.94 77.96 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 111.868 0.321 . . . . 0.0 111.868 -177.548 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.57 -28.87 67.34 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.343 179.567 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.851 HG21 HD21 ' A' ' 8' ' ' LEU . 36.0 mm -64.22 -65.94 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.773 0.32 . . . . 0.0 110.79 179.426 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 . . . . . 0 N--CA 1.447 -0.604 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.184 -176.985 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.437 ' CD2' HG12 ' A' ' 50' ' ' VAL . 89.8 mt . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.778 0.323 . . . . 0.0 110.94 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.41 HD21 HG21 ' A' ' 111' ' ' ILE . 88.4 mt -59.2 -30.68 68.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.936 -173.341 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 35.9 mtmt -59.45 -36.44 75.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.723 0.297 . . . . 0.0 110.898 -178.29 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.73 -46.3 66.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 -177.441 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -66.38 -41.49 89.32 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.123 179.254 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 79.5 mm-40 -64.78 -35.75 82.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.104 177.759 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.3 tp60 -60.31 -46.44 89.85 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.597 178.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.652 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -60.05 -46.71 93.7 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.752 -0.737 . . . . 0.0 111.745 177.87 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.473 ' HA ' HD12 ' A' ' 18' ' ' LEU . 75.1 mt -57.7 -43.88 84.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.689 0.28 . . . . 0.0 111.1 178.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.438 ' C ' ' HD3' ' A' ' 16' ' ' LYS . 0.8 OUTLIER -59.55 -46.45 88.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.39 179.895 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.464 ' O ' HG23 ' A' ' 21' ' ' VAL . 72.1 mt -61.77 -41.46 90.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.556 178.546 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.652 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 94.3 mt -57.65 -37.28 73.1 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.175 179.407 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.421 ' HG3' ' O ' ' A' ' 15' ' ' ILE . 30.2 mtpp -64.17 -41.93 96.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.2 179.238 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -66.45 -34.53 78.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.733 -177.71 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 17' ' ' ILE . 60.2 t -60.94 -39.45 82.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.98 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 99.0 mt -59.43 -35.47 74.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.59 178.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 80.7 mttt -72.21 -42.73 65.43 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.335 179.116 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.413 ' HG3' ' CD1' ' A' ' 36' ' ' LEU . 75.7 mmtt -67.98 -21.13 65.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.469 -178.018 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.61 -42.66 93.16 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.351 179.616 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 59.8 mttm -73.23 -26.69 61.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.864 179.55 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -69.07 -41.63 77.31 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 174.78 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.36 19.29 78.43 Favored Glycine 0 N--CA 1.45 -0.406 0 CA-C-N 115.815 -0.63 . . . . 0.0 113.119 173.758 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -90.34 118.22 29.67 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.969 0.414 . . . . 0.0 110.844 -178.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -57.29 -42.49 81.79 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.689 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.515 ' O ' ' HB2' ' A' ' 35' ' ' ARG . 80.4 mt-30 -64.52 -44.87 89.51 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-O 120.504 0.193 . . . . 0.0 110.874 -173.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -62.98 -47.86 81.32 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.092 0.473 . . . . 0.0 110.622 175.061 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.503 HD22 ' CE2' ' A' ' 93' ' ' PHE . 19.0 mt -65.61 -45.78 81.83 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.492 -0.777 . . . . 0.0 112.295 -175.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.3 -34.61 77.73 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.905 0.383 . . . . 0.0 110.594 179.481 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.515 ' HB2' ' O ' ' A' ' 31' ' ' GLN . 33.8 ttt180 -65.04 -43.85 91.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.89 177.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.486 ' O ' HG13 ' A' ' 40' ' ' ILE . 41.8 mt -65.79 -39.19 90.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.86 177.14 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -61.03 -39.98 91.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 0.0 109.837 176.766 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -63.13 -42.18 99.45 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.56 175.474 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.458 ' HA ' ' HE3' ' A' ' 42' ' ' LYS . 69.1 mm-40 -58.95 -45.16 91.16 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.769 178.309 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.486 HG13 ' O ' ' A' ' 36' ' ' LEU . 81.4 mt -56.85 -49.12 79.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.196 -179.147 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.524 HG13 HG23 ' A' ' 78' ' ' ILE . 95.2 t -58.64 -56.51 16.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.645 -175.417 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.458 ' HE3' ' HA ' ' A' ' 39' ' ' GLU . 14.9 pttp -66.69 -35.88 81.2 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -178.477 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.38 -46.99 74.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.547 0.213 . . . . 0.0 111.222 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.413 ' O ' HG23 ' A' ' 48' ' ' VAL . 7.9 mt-10 -68.64 -35.16 76.91 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.726 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.622 ' HE2' HG21 ' A' ' 78' ' ' ILE . 57.3 mmtt -59.09 -44.05 91.87 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.802 0.334 . . . . 0.0 110.572 175.009 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.479 ' O ' HG23 ' A' ' 50' ' ' VAL . 54.6 tp60 -61.89 -41.15 97.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.809 176.737 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.83 -47.55 90.43 Favored Glycine 0 N--CA 1.448 -0.551 0 CA-C-N 115.771 -0.65 . . . . 0.0 112.727 178.396 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 44' ' ' GLU . 78.2 t -60.81 -40.33 84.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.778 0.323 . . . . 0.0 110.33 178.716 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 56.5 tttm -56.29 -49.85 73.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.106 178.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 46' ' ' GLN . 21.2 t -70.86 -46.14 69.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.116 -178.329 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -59.02 -45.45 90.67 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.442 -179.285 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.427 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 81.4 tttt -64.52 -35.27 80.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.688 -176.308 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -64.41 -47.63 78.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.447 179.049 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.98 -33.92 74.46 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.195 -178.359 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.33 -47.11 86.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.53 -179.116 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' ' 52' ' ' LYS . 9.7 pt-20 -82.46 -2.49 53.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.696 0.284 . . . . 0.0 111.724 -177.523 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -102.62 -5.57 23.72 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.874 0.368 . . . . 0.0 110.392 174.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -81.88 175.47 10.38 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.024 -178.018 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 56.7 mtm180 -110.03 141.01 43.44 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.888 -177.629 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.475 ' HA ' ' HD2' ' A' ' 61' ' ' PRO . 61.8 t30 71.07 112.84 0.03 OUTLIER Pre-proline 0 N--CA 1.466 0.364 0 O-C-N 124.326 1.017 . . . . 0.0 110.633 -176.772 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.475 ' HD2' ' HA ' ' A' ' 60' ' ' ASN . 12.7 Cg_endo -55.6 -21.38 31.05 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 123.746 2.964 . . . . 0.0 113.189 -175.839 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.481 ' O ' HG23 ' A' ' 66' ' ' VAL . 40.5 mt-10 -66.04 -40.68 91.2 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.699 0.285 . . . . 0.0 110.459 177.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -70.34 -34.6 72.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.206 0.526 . . . . 0.0 109.709 176.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -60.9 -43.19 98.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.232 173.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.583 ' HA ' ' HB3' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -63.19 -35.73 81.28 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.041 -179.08 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 62' ' ' GLU . 93.1 t -59.12 -47.75 89.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.114 0.483 . . . . 0.0 109.985 178.418 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.443 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 59.2 mt -69.32 -39.14 78.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.281 176.814 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.583 ' HB3' ' HA ' ' A' ' 65' ' ' GLN . 19.0 t70 -56.34 -37.63 70.25 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.634 177.868 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 22.8 mtpp -58.97 -45.61 90.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.043 0.449 . . . . 0.0 110.562 176.477 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.423 ' O ' ' HB2' ' A' ' 74' ' ' GLU . 37.4 mt -71.05 -38.21 70.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.366 177.235 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.465 HD12 ' HA ' ' A' ' 68' ' ' ASP . 68.1 mt -55.94 -43.22 77.23 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.068 0.461 . . . . 0.0 110.993 175.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -70.05 -46.81 64.2 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.138 178.084 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -62.06 -46.64 88.23 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.718 -178.826 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.423 ' HB2' ' O ' ' A' ' 70' ' ' ILE . 4.5 tp10 -63.58 -36.99 85.62 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.9 -173.184 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -62.57 -37.67 87.08 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 120.974 0.416 . . . . 0.0 110.84 176.015 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -60.68 -34.19 73.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.632 -179.559 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.565 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 60.0 m170 -63.92 -49.11 73.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.455 0.645 . . . . 0.0 110.062 177.004 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.622 HG21 ' HE2' ' A' ' 45' ' ' LYS . 45.4 mt -63.74 -45.93 95.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 114.767 -1.106 . . . . 0.0 110.716 -176.642 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -56.73 -34.39 67.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.065 178.283 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.459 ' HE1' ' HG ' ' A' ' 96' ' ' LEU . 22.7 t-105 -71.32 -57.64 4.27 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.569 178.703 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -62.14 -32.41 73.01 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 112.084 0.401 . . . . 0.0 112.084 -177.197 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 53.8 tttm -67.55 -46.68 72.02 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.01 0.433 . . . . 0.0 110.673 179.663 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.98 -38.87 69.62 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.666 179.288 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.412 0 CA-C-N 116.16 -0.473 . . . . 0.0 112.24 -174.513 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 111.932 0.345 . . . . 0.0 111.932 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -65.38 -48.79 71.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.784 -172.76 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 -68.69 -40.78 79.87 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.201 0.524 . . . . 0.0 110.559 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.503 ' CE2' HD22 ' A' ' 33' ' ' LEU . 19.5 t80 -62.26 -40.2 95.41 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.825 -178.563 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.69 -28.81 70.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.966 179.737 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 11.9 m -77.06 -45.17 28.02 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.971 0.415 . . . . 0.0 110.431 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.459 ' HG ' ' HE1' ' A' ' 80' ' ' TRP . 4.2 mm? -69.7 -38.48 76.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.773 -177.836 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 10.7 p -63.32 -34.35 66.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.715 0.293 . . . . 0.0 110.991 -179.153 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -65.65 -36.87 84.93 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 179.704 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 73.0 mm-40 -65.81 -39.16 90.63 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.777 177.416 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' HIS . . . . . 0.565 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 4.7 t-160 -57.94 -43.17 86.2 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.535 176.696 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 52.3 tp -59.66 -46.41 89.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.989 178.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -63.91 -37.85 88.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -61.29 -49.17 78.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.979 179.008 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.476 ' HG2' ' O ' ' A' ' 100' ' ' HIS . 23.8 mm-40 -65.23 -26.79 68.27 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.053 -176.825 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -65.28 -33.48 76.09 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.648 177.456 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.502 ' HA ' ' HG2' ' A' ' 109' ' ' GLU . 23.5 ttt85 -72.57 -32.79 66.31 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 174.407 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.595 ' O ' HG12 ' A' ' 111' ' ' ILE . 17.8 m170 -58.48 -41.76 86.0 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 178.359 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 91.8 t -58.27 -50.59 77.93 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.052 178.268 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.502 ' HG2' ' HA ' ' A' ' 106' ' ' ARG . 6.3 pt-20 -68.38 -34.65 76.43 Favored 'General case' 0 C--O 1.224 -0.251 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.978 -177.198 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -68.46 -29.8 68.51 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.311 -0.556 . . . . 0.0 110.464 177.789 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.595 HG12 ' O ' ' A' ' 107' ' ' HIS . 31.9 mm -66.12 -64.91 0.64 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.893 174.143 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 . . . . . 0 C--O 1.235 0.314 0 N-CA-C 112.943 0.72 . . . . 0.0 112.943 -172.11 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.507 ' HG ' HG12 ' A' ' 50' ' ' VAL . 8.4 mp . . . . . 0 C--O 1.233 0.194 0 CA-C-O 120.784 0.326 . . . . 0.0 111.514 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 79.3 mt -59.72 -30.33 68.75 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.494 0.554 . . . . 0.0 112.494 -174.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -59.09 -44.93 91.96 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 111.773 0.286 . . . . 0.0 111.773 -174.429 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.89 -42.39 85.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.644 0.259 . . . . 0.0 110.901 -177.729 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -63.95 -41.8 97.49 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.196 0.522 . . . . 0.0 109.806 177.311 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -63.49 -35.12 79.41 Favored 'General case' 0 N--CA 1.457 -0.111 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.966 177.26 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.462 ' O ' HG13 ' A' ' 17' ' ' ILE . 40.6 mt-30 -62.57 -45.99 90.4 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.825 177.699 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.603 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -60.89 -46.21 95.01 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.574 -0.822 . . . . 0.0 111.523 176.401 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 80.4 mt -59.53 -42.9 89.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.75 -0.225 . . . . 0.0 110.998 177.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.617 ' HA ' ' HD3' ' A' ' 19' ' ' LYS . 82.7 tttt -57.31 -47.37 81.67 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.668 0.271 . . . . 0.0 110.792 179.568 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.462 HG13 ' O ' ' A' ' 13' ' ' GLN . 52.5 mt -63.95 -41.23 91.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.351 179.591 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.603 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 96.8 mt -57.6 -41.45 81.26 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.493 177.713 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.617 ' HD3' ' HA ' ' A' ' 16' ' ' LYS . 25.7 mtpp -61.37 -37.19 82.47 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.976 178.673 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -73.66 -41.85 62.14 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.534 178.766 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.476 HG13 HD22 ' A' ' 33' ' ' LEU . 66.7 t -59.64 -39.68 80.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.285 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 87.9 mt -55.03 -43.66 73.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.889 0.376 . . . . 0.0 111.102 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 38.9 mtmm -72.09 -44.02 63.9 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.03 0.443 . . . . 0.0 110.944 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -70.0 -28.3 65.4 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.858 -175.82 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.52 ' HA ' HD11 ' A' ' 33' ' ' LEU . . . -71.58 -35.87 70.69 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.818 0.342 . . . . 0.0 110.891 178.207 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -72.13 -31.81 66.35 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 121.138 0.494 . . . . 0.0 110.111 176.121 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -69.66 -30.77 68.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.364 175.235 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 86.77 31.54 17.86 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.974 -0.632 . . . . 0.0 112.105 179.71 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.495 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 40.8 t0 -96.61 80.34 3.09 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.353 0.597 . . . . 0.0 110.297 -179.642 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.438 ' HA ' HD12 ' A' ' 33' ' ' LEU . 37.8 mt-10 -69.76 -21.33 63.45 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.508 -175.344 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -64.03 -47.88 78.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.881 0.372 . . . . 0.0 110.533 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -71.46 -38.14 71.29 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.759 175.08 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.52 HD11 ' HA ' ' A' ' 25' ' ' ALA . 81.6 mt -57.06 -41.55 78.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.398 -178.048 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.54 -42.35 98.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.896 0.379 . . . . 0.0 111.035 178.773 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 16.1 ttm180 -71.44 -43.85 65.93 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.573 ' O ' HG13 ' A' ' 40' ' ' ILE . 93.7 mt -60.94 -38.72 86.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.508 178.573 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 44.4 t-20 -55.98 -48.08 76.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.885 177.619 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -60.68 -43.12 98.11 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.328 177.119 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -66.74 -34.69 78.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.854 -177.654 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.573 HG13 ' O ' ' A' ' 36' ' ' LEU . 86.0 mt -57.43 -46.67 85.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 175.533 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.829 HG13 HG23 ' A' ' 78' ' ' ILE . 89.6 t -55.58 -43.41 72.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.628 177.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -63.32 -38.7 92.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.013 179.351 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.15 -47.01 72.3 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.574 178.409 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.508 ' HG2' ' O ' ' A' ' 40' ' ' ILE . 5.7 mm-40 -59.27 -46.0 89.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.369 178.264 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.551 ' HE2' HG21 ' A' ' 78' ' ' ILE . 65.4 mmtt -60.92 -41.85 96.97 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.449 -179.739 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.419 ' O ' HG23 ' A' ' 50' ' ' VAL . 58.6 tp60 -60.83 -41.77 96.45 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 178.122 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.32 -46.83 93.63 Favored Glycine 0 N--CA 1.446 -0.659 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.936 176.271 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 44' ' ' GLU . 79.6 t -54.85 -41.55 57.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.672 0.272 . . . . 0.0 111.244 178.634 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.1 -43.88 97.88 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.934 0.397 . . . . 0.0 110.852 179.428 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.507 HG12 ' HG ' ' A' ' 7' ' ' LEU . 46.2 t -69.51 -39.93 79.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.212 179.275 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -61.87 -44.89 95.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.371 177.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.416 ' HG3' HD11 ' A' ' 71' ' ' LEU . 86.1 mttt -58.44 -37.8 76.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.421 178.023 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -67.54 -51.65 48.26 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.033 0.444 . . . . 0.0 110.317 177.192 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.98 -31.67 73.02 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.753 -177.058 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.15 -45.91 92.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.65 -179.397 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -83.22 -5.43 59.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.112 0.482 . . . . 0.0 110.442 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 42.5 mmtm -92.44 15.28 14.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.846 171.817 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -82.25 105.25 13.18 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.115 0.483 . . . . 0.0 111.702 -178.694 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -68.48 -27.3 66.02 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.817 171.324 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 25.5 t30 -125.81 122.71 24.6 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.811 -179.461 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_exo -53.55 -26.26 36.08 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 123.449 2.766 . . . . 0.0 113.634 -177.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -63.63 -33.45 75.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.023 0.44 . . . . 0.0 110.767 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 27.8 ttpp -72.34 -30.3 64.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.66 178.182 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 31.8 ttp85 -69.05 -37.89 78.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.027 178.227 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -57.28 -44.9 84.44 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.149 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 57.7 t -62.45 -44.35 99.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.191 0.52 . . . . 0.0 110.554 178.705 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 80.6 mt -67.73 -44.07 86.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.144 -179.059 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -59.93 -46.6 88.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.538 -179.483 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 56.8 tttm -59.44 -44.6 92.89 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.992 -179.433 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 78.5 mt -71.17 -43.61 74.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.26 179.534 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.416 HD11 ' HG3' ' A' ' 52' ' ' LYS . 5.4 tt -61.02 -49.54 76.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.726 -176.294 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -63.8 -35.12 79.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.476 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.502 ' HB3' ' CE1' ' A' ' 107' ' ' HIS . 22.8 t0 -66.39 -46.26 77.21 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.424 0.631 . . . . 0.0 109.518 176.034 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.28 -38.77 84.6 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.518 -177.487 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -68.61 -33.99 74.99 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-O 120.983 0.42 . . . . 0.0 110.436 177.597 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -67.79 -35.88 79.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.562 177.639 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 63.2 m170 -61.19 -47.64 85.21 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.288 0.566 . . . . 0.0 109.828 177.151 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.829 HG23 HG13 ' A' ' 41' ' ' VAL . 89.0 mt -57.75 -45.26 86.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.609 179.589 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -56.66 -41.32 77.06 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.056 177.752 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 33.1 t-105 -67.63 -48.59 66.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.875 0.369 . . . . 0.0 110.29 178.226 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 31.8 m-70 -58.66 -31.85 68.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.138 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.475 ' HG3' ' O ' ' A' ' 78' ' ' ILE . 51.6 mtpt -59.31 -46.56 88.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.827 0.346 . . . . 0.0 110.793 177.513 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.3 -44.54 62.58 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.348 178.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.31 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 -172.283 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.118 0 CA-C-O 120.83 0.348 . . . . 0.0 110.212 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -68.39 -47.11 68.19 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.23 0.538 . . . . 0.0 110.118 -179.022 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -65.98 -35.36 80.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.529 176.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.54 ' O ' HG23 ' A' ' 97' ' ' VAL . 5.0 t80 -60.91 -47.41 86.55 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.793 -176.47 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.473 ' O ' ' HG3' ' A' ' 98' ' ' GLN . . . -57.15 -34.68 68.67 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.206 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 10.0 t -70.71 -39.84 73.19 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.651 -178.507 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -72.12 -34.92 68.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.166 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 93' ' ' PHE . 86.6 t -62.2 -36.39 74.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.76 178.773 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.473 ' HG3' ' O ' ' A' ' 94' ' ' ALA . 79.0 mt-30 -57.34 -42.19 81.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.611 177.38 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -63.32 -42.03 98.96 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.554 178.614 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' HIS . . . . . 0.514 ' O ' ' HG2' ' A' ' 104' ' ' GLU . 5.6 t-160 -63.92 -45.24 90.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.863 177.785 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.462 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 54.8 tp -60.01 -48.8 80.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.192 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -64.72 -33.96 77.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.366 0.603 . . . . 0.0 110.451 178.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -63.4 -44.68 93.97 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.575 177.166 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.514 ' HG2' ' O ' ' A' ' 100' ' ' HIS . 17.9 mm-40 -70.35 -32.53 70.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.493 -178.614 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.462 ' HG3' ' O ' ' A' ' 101' ' ' LEU . 25.5 mt-30 -61.02 -38.66 86.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.245 0.545 . . . . 0.0 109.996 176.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 65.8 mtm180 -64.58 -30.63 71.65 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.96 176.766 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.502 ' CE1' ' HB3' ' A' ' 73' ' ' ASP . 51.3 m170 -68.51 -49.91 56.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.926 175.333 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 48.2 t -65.9 -42.09 91.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.968 -175.02 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -57.0 -38.45 73.08 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 -175.839 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -70.83 -28.76 64.84 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.674 0.273 . . . . 0.0 111.131 179.621 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 62.1 mt -78.56 -32.46 16.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.84 0.352 . . . . 0.0 111.333 -179.278 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 121.03 0.443 . . . . 0.0 111.811 -176.001 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.456 HD21 HG11 ' A' ' 50' ' ' VAL . 94.4 mt . . . . . 0 N--CA 1.461 0.101 0 CA-C-O 121.181 0.515 . . . . 0.0 110.324 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.558 HD11 HG13 ' A' ' 108' ' ' VAL . 0.3 OUTLIER -67.19 -37.69 84.11 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.957 -0.756 . . . . 0.0 108.957 175.559 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.88 -35.07 77.25 Favored 'General case' 0 C--O 1.225 -0.191 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.881 177.15 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.25 -46.58 89.32 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.754 179.263 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -67.59 -39.28 84.8 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.592 177.788 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -63.72 -40.46 96.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.815 177.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.578 ' O ' HG13 ' A' ' 17' ' ' ILE . 48.4 tt0 -69.61 -37.42 76.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.921 177.28 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.492 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -58.15 -46.51 92.64 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.82 -0.705 . . . . 0.0 111.609 174.782 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 77.8 mt -63.59 -39.54 85.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.843 0.354 . . . . 0.0 110.301 175.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.416 ' HB3' ' O ' ' A' ' 13' ' ' GLN . 43.4 tttp -55.3 -48.23 74.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.867 175.761 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.584 ' O ' HG23 ' A' ' 21' ' ' VAL . 62.8 mt -62.05 -45.63 98.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.989 178.351 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.552 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 95.7 mt -57.78 -40.55 80.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.953 179.537 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp -63.33 -37.56 87.76 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.763 0.316 . . . . 0.0 111.238 178.371 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -73.24 -34.97 66.17 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.229 177.471 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 17' ' ' ILE . 89.7 t -62.86 -42.23 95.63 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.312 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.438 175.174 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 18' ' ' LEU . 93.4 mt -55.68 -40.17 71.95 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.712 0.291 . . . . 0.0 111.536 -179.506 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -68.35 -42.53 79.13 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.347 0.594 . . . . 0.0 110.351 179.008 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.864 ' HD3' ' HB3' ' A' ' 32' ' ' GLU . 98.4 mttt -83.54 -18.17 39.31 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.362 -0.835 . . . . 0.0 112.076 -173.289 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.31 -31.36 70.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.007 0.432 . . . . 0.0 110.25 175.13 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -69.59 -29.42 66.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.194 175.504 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -81.13 -35.5 31.48 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.279 -179.011 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.92 38.5 56.02 Favored Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.605 176.443 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -97.21 122.89 40.74 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.551 0.215 . . . . 0.0 110.448 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -64.92 -41.41 95.58 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.767 -176.705 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -63.66 -42.32 98.1 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.073 0.463 . . . . 0.0 110.389 -173.692 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.864 ' HB3' ' HD3' ' A' ' 24' ' ' LYS . 77.1 mm-40 -71.15 -46.56 61.23 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.473 176.522 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 17.3 mt -60.71 -45.63 93.49 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.995 -178.091 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.7 -45.13 91.41 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.566 0.222 . . . . 0.0 111.023 -178.023 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 21.4 ttm180 -59.5 -44.33 93.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.092 0.472 . . . . 0.0 110.344 178.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.732 HD11 ' HD2' ' A' ' 24' ' ' LYS . 81.6 mt -67.13 -45.19 77.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.907 179.568 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -58.87 -42.98 90.74 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.23 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -64.05 -42.07 97.17 Favored 'General case' 0 N--CA 1.441 -0.891 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.722 176.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.895 ' HA ' ' HE3' ' A' ' 42' ' ' LYS . 6.3 tp10 -60.55 -42.42 96.52 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.355 -179.723 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.533 HG13 ' O ' ' A' ' 36' ' ' LEU . 75.4 mt -58.44 -49.64 81.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.324 177.789 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 91.9 t -56.9 -44.67 82.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.944 178.381 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.895 ' HE3' ' HA ' ' A' ' 39' ' ' GLU . 33.6 mtmt -60.99 -47.24 87.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.264 178.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.17 -46.96 72.4 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.705 -176.388 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.476 ' O ' HG23 ' A' ' 48' ' ' VAL . 48.2 mt-10 -67.41 -40.78 85.57 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.219 -176.652 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.49 ' HE2' HG21 ' A' ' 78' ' ' ILE . 61.1 mttm -66.5 -32.08 73.22 Favored 'General case' 0 CA--C 1.52 -0.183 0 C-N-CA 120.752 -0.379 . . . . 0.0 111.128 179.016 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.421 ' O ' HG23 ' A' ' 50' ' ' VAL . 24.1 tm0? -61.06 -46.07 92.17 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 175.409 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -65.1 -47.17 84.56 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.852 -0.69 . . . . 0.0 111.988 178.206 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 44' ' ' GLU . 91.2 t -57.65 -41.5 79.42 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-O 120.765 0.317 . . . . 0.0 110.942 179.276 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -61.04 -43.52 98.77 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.682 -179.074 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.456 HG11 HD21 ' A' ' 7' ' ' LEU . 47.0 t -70.25 -41.22 78.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.724 178.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -60.64 -41.91 95.89 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.696 0.284 . . . . 0.0 110.535 177.233 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.567 ' HG2' HD11 ' A' ' 71' ' ' LEU . 6.7 tmtt? -60.58 -39.98 90.03 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.137 0.494 . . . . 0.0 110.507 176.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -67.22 -45.65 76.19 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.351 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.61 -32.94 68.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.997 -177.642 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.425 ' O ' ' HD2' ' A' ' 64' ' ' ARG . . . -62.82 -38.11 89.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.595 0.236 . . . . 0.0 111.626 -177.58 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -71.4 -23.03 61.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.132 0.491 . . . . 0.0 110.845 177.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -106.2 37.61 2.24 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.944 177.803 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.97 139.25 52.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.351 -0.84 . . . . 0.0 112.068 -177.679 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 79.4 mtt180 -102.15 -22.78 14.14 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.036 179.471 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -152.66 125.73 4.13 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.635 -178.32 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -50.18 -47.89 22.13 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 123.074 2.516 . . . . 0.0 112.906 178.158 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -61.03 -38.28 85.56 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.005 0.431 . . . . 0.0 110.955 179.329 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.834 ' HA ' ' HE3' ' A' ' 63' ' ' LYS . 0.7 OUTLIER -68.15 -42.23 80.41 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.298 179.104 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.425 ' HD2' ' O ' ' A' ' 55' ' ' ALA . 9.0 ttp180 -69.71 -29.52 66.94 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.661 -179.079 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.25 -42.35 86.21 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.118 0.485 . . . . 0.0 110.015 176.476 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 98.2 t -61.0 -47.4 93.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.514 175.59 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 75.4 mt -65.08 -45.95 92.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.988 -179.251 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -57.05 -45.52 83.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.661 -177.231 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.1 ttpm? -63.44 -43.8 96.37 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.808 -179.478 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 55.7 mt -70.17 -38.19 73.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.954 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.567 HD11 ' HG2' ' A' ' 52' ' ' LYS . 7.0 tt -57.92 -49.42 76.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.123 177.314 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -65.98 -38.81 89.49 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.609 179.117 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.402 ' O ' ' HB3' ' A' ' 76' ' ' LYS . 8.2 t70 -61.51 -49.24 77.54 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.71 178.728 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.428 ' O ' HG13 ' A' ' 78' ' ' ILE . 2.4 tp10 -65.62 -41.48 92.65 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.017 -0.992 . . . . 0.0 111.042 -172.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.47 -34.69 77.34 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 121.167 0.508 . . . . 0.0 110.007 174.277 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.902 ' HA ' ' HE3' ' A' ' 76' ' ' LYS . 0.6 OUTLIER -61.86 -36.67 81.92 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.486 179.857 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 51.5 m170 -64.96 -48.3 74.56 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.294 0.568 . . . . 0.0 110.485 177.116 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.49 HG21 ' HE2' ' A' ' 45' ' ' LYS . 52.3 mt -60.69 -38.42 78.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 114.922 -1.035 . . . . 0.0 111.007 -175.632 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -59.08 -39.55 82.47 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.665 -0.243 . . . . 0.0 110.681 176.671 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 21.3 t-105 -63.46 -50.88 67.99 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 177.012 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -62.59 -30.97 71.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.588 -179.63 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp -66.62 -46.76 74.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.858 0.361 . . . . 0.0 110.903 173.265 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.47 -29.96 66.66 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.331 -179.172 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.34 179.74 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.417 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.49 -37.63 77.3 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.716 0.293 . . . . 0.0 111.496 -175.033 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -64.5 -49.78 70.0 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.22 0.533 . . . . 0.0 109.996 177.322 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -60.88 -42.34 97.75 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.305 -0.862 . . . . 0.0 110.835 179.636 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.27 -21.33 66.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.506 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 27.2 m -83.58 -47.48 11.24 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.824 0.345 . . . . 0.0 110.514 178.02 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 10.4 mp -70.81 -31.8 68.66 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.659 -178.429 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 7.5 p -61.87 -33.74 59.39 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 CA-C-O 120.651 0.263 . . . . 0.0 110.781 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -59.96 -33.55 72.09 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.706 0.289 . . . . 0.0 110.959 177.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -66.8 -35.7 80.68 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.022 176.247 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -65.74 -42.39 91.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.45 178.357 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.55 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 3.9 mm? -58.17 -48.7 79.49 Favored 'General case' 0 N--CA 1.461 0.125 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.55 178.139 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -67.3 -38.7 85.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.059 -179.356 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -64.42 -49.0 73.25 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.712 -175.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -63.63 -29.77 70.97 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.539 0.209 . . . . 0.0 111.348 -176.392 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.55 ' HG3' ' O ' ' A' ' 101' ' ' LEU . 77.5 mt-30 -61.81 -40.06 93.93 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 177.623 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.59 ' HA ' ' HG2' ' A' ' 109' ' ' GLU . 1.1 mtp180 -65.68 -32.38 73.91 Favored 'General case' 0 C--O 1.224 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.961 176.637 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.462 ' O ' HG12 ' A' ' 111' ' ' ILE . 22.7 m170 -63.44 -39.34 94.23 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.318 179.165 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.558 HG13 HD11 ' A' ' 8' ' ' LEU . 59.0 t -67.64 -50.93 56.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.287 178.393 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.59 ' HG2' ' HA ' ' A' ' 106' ' ' ARG . 12.7 pt-20 -66.97 -32.2 73.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.122 -177.542 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.475 ' HB2' ' O ' ' A' ' 106' ' ' ARG . 4.0 tp10 -58.98 -36.47 74.91 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 176.831 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.462 HG12 ' O ' ' A' ' 107' ' ' HIS . 48.9 mm -74.45 -61.78 1.57 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.418 178.228 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.448 -0.557 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 179.434 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.8 tpt . . . . . 0 N--CA 1.48 1.071 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -155.6 135.33 12.66 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.96 -172.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.485 ' HB2' ' NZ ' ' A' ' 63' ' ' LYS . 4.1 mp0 48.47 72.98 0.24 Allowed 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.386 -0.825 . . . . 0.0 111.218 -178.404 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 29.8 tp -133.29 -69.67 0.55 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.252 -178.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -65.66 -35.16 79.99 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.423 0.63 . . . . 0.0 109.593 174.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.469 ' CD ' ' H ' ' A' ' 6' ' ' GLU . 28.0 mp0 -59.0 -47.04 86.64 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.841 -179.514 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 95.9 mt -72.45 -33.78 67.29 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.149 -178.126 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 48.7 mt -60.71 -30.05 69.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.877 177.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -58.02 -34.99 70.64 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.764 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.85 -46.6 71.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.579 178.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -65.39 -44.59 87.06 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.69 179.181 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -57.81 -42.33 84.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.042 179.358 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -65.26 -46.47 80.36 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.659 179.219 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.508 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -59.7 -46.53 93.86 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.877 -0.677 . . . . 0.0 112.237 178.707 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.498 ' O ' ' HG2' ' A' ' 19' ' ' LYS . 76.3 mt -62.65 -40.72 89.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.633 0.254 . . . . 0.0 111.107 179.227 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -61.98 -40.78 96.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.765 0.317 . . . . 0.0 110.639 -178.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.476 ' O ' HG23 ' A' ' 21' ' ' VAL . 64.3 mt -65.98 -40.07 86.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.351 176.633 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 91.5 mt -57.56 -36.11 71.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.318 178.525 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.498 ' HG2' ' O ' ' A' ' 15' ' ' ILE . 30.7 mmmt -56.5 -45.36 81.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.092 0.472 . . . . 0.0 110.348 177.554 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.46 ' HA ' ' OE1' ' A' ' 20' ' ' GLU . 9.4 mm-40 -72.45 -33.64 67.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.594 179.54 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.547 HG21 HD11 ' A' ' 40' ' ' ILE . 76.4 t -59.53 -39.24 78.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.397 176.186 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 90.9 mt -60.54 -39.48 88.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.713 175.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.402 ' HE2' ' HB3' ' A' ' 23' ' ' LYS . 1.9 mmmm -65.62 -48.24 72.93 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.668 178.67 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.47 ' HG2' ' HB3' ' A' ' 32' ' ' GLU . 5.5 mptp? -74.54 -25.19 59.16 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.817 -175.588 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.84 -42.17 99.64 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.959 0.409 . . . . 0.0 110.077 175.324 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -72.64 -35.12 67.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.853 176.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -61.12 -48.49 81.42 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.561 175.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.66 58.81 4.35 Favored Glycine 0 N--CA 1.448 -0.514 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.726 176.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -127.07 133.91 50.37 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 110.329 -0.249 . . . . 0.0 110.329 176.556 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -62.96 -44.16 96.82 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.542 -175.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.4 mp0 -63.46 -47.78 80.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.646 0.26 . . . . 0.0 110.692 -177.269 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.47 ' HB3' ' HG2' ' A' ' 24' ' ' LYS . 37.8 mm-40 -62.15 -44.92 95.56 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.157 177.751 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 33' ' ' LEU . 17.9 mt -65.19 -45.8 83.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.156 -177.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.85 -44.12 86.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.817 0.342 . . . . 0.0 110.708 -179.392 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.446 ' O ' ' HG2' ' A' ' 39' ' ' GLU . 61.9 ttt180 -59.62 -44.11 93.55 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.451 178.323 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.483 ' O ' HG13 ' A' ' 40' ' ' ILE . 28.6 mt -68.39 -40.23 81.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.087 178.093 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.468 ' O ' HG23 ' A' ' 41' ' ' VAL . 26.5 t-20 -56.26 -44.84 80.11 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 174.722 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.52 ' HA ' ' OE1' ' A' ' 38' ' ' GLN . 11.2 mm-40 -62.49 -40.84 98.0 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.464 177.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' A' ' 35' ' ' ARG . 64.7 mm-40 -63.1 -41.94 99.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.879 177.158 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.547 HD11 HG21 ' A' ' 21' ' ' VAL . 85.3 mt -59.81 -50.01 81.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 179.41 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 37' ' ' ASN . 89.8 t -53.73 -50.57 50.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.979 -179.134 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt -63.54 -44.07 95.26 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.53 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.92 -47.28 72.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.875 -175.621 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -64.86 -40.0 94.44 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.592 -177.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.477 ' HG3' HD13 ' A' ' 78' ' ' ILE . 67.1 mttm -69.89 -32.27 70.51 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.521 179.102 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 50.5 tp60 -62.17 -37.09 83.94 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 172.327 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.597 ' O ' ' HD1' ' A' ' 51' ' ' TYR . . . -62.05 -47.24 91.25 Favored Glycine 0 N--CA 1.448 -0.528 0 CA-C-N 115.039 -0.982 . . . . 0.0 111.543 172.755 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 79.4 t -55.91 -38.65 53.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.794 0.33 . . . . 0.0 110.406 176.351 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.5 tptm -61.73 -49.75 75.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.56 -179.009 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 8.6 m -68.5 -37.55 77.92 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.081 0 C-N-CA 120.845 -0.342 . . . . 0.0 111.305 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.597 ' HD1' ' O ' ' A' ' 47' ' ' GLY . 36.9 m-85 -65.82 -49.11 69.39 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 121.032 -0.267 . . . . 0.0 110.788 178.351 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -60.79 -39.39 88.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.116 0.484 . . . . 0.0 110.797 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -64.79 -41.97 95.41 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.585 179.296 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.422 ' CB ' ' HG2' ' A' ' 3' ' ' GLU . . . -72.06 -32.83 67.44 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.458 179.12 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.43 -39.47 83.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.484 -179.364 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -82.82 15.09 2.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.059 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.1 ttpp -142.61 33.77 1.44 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.57 0.7 . . . . 0.0 109.236 176.063 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -88.21 111.0 21.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.183 -178.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -60.43 -35.04 74.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.176 179.112 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.407 ' OD1' ' HD2' ' A' ' 61' ' ' PRO . 31.4 t30 -124.11 129.21 24.82 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.612 -178.702 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.407 ' HD2' ' OD1' ' A' ' 60' ' ' ASN . 94.7 Cg_exo -46.15 -34.3 13.14 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 123.503 2.802 . . . . 0.0 113.531 177.291 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -63.98 -32.79 74.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.877 0.37 . . . . 0.0 110.872 178.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.485 ' NZ ' ' HB2' ' A' ' 3' ' ' GLU . 1.4 tmtp? -69.51 -38.02 77.42 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 178.447 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 17.6 ttm-85 -69.47 -40.34 77.16 Favored 'General case' 0 C--O 1.223 -0.319 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.061 175.41 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -55.77 -45.52 78.11 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 123.182 0.593 . . . . 0.0 111.647 -178.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 92.7 t -65.69 -46.38 89.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.997 0.427 . . . . 0.0 110.316 178.309 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.458 HD11 ' HE2' ' A' ' 63' ' ' LYS . 52.0 mt -60.34 -48.11 89.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.473 178.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -60.86 -41.2 95.44 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.125 -176.376 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.459 ' C ' ' HD3' ' A' ' 69' ' ' LYS . 14.1 tmtt? -63.03 -46.42 87.66 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.663 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 17.7 mt -71.63 -37.15 62.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.163 179.287 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.6 tt -55.5 -47.55 76.02 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 176.294 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -65.2 -40.76 94.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.129 177.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.442 ' O ' ' HB2' ' A' ' 76' ' ' LYS . 0.4 OUTLIER -60.96 -49.24 78.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.101 -178.841 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.7 -39.55 94.37 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.208 -173.157 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -67.2 -36.45 81.76 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.936 174.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.442 ' HB2' ' O ' ' A' ' 73' ' ' ASP . 25.4 mmmt -58.56 -38.47 77.92 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.86 178.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.579 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 55.1 m170 -61.93 -48.06 82.1 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.299 179.063 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.477 HD13 ' HG3' ' A' ' 45' ' ' LYS . 45.8 mt -61.99 -43.1 97.13 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.297 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.748 -178.311 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -56.91 -37.26 71.19 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.174 179.15 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 33.1 t-105 -67.7 -52.95 31.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.642 177.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -61.98 -32.11 72.54 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.764 -179.45 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.404 ' HZ3' ' HB3' ' A' ' 82' ' ' LYS . 5.8 ttpm? -71.39 -39.76 70.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.952 0.406 . . . . 0.0 110.676 178.64 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.52 -24.42 67.12 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.853 -176.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.98 -55.18 37.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.698 178.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 39.5 m 58.68 20.74 8.07 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.804 178.114 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt 61.04 90.29 0.07 Allowed 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 123.158 0.583 . . . . 0.0 111.776 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.478 ' HB2' ' H ' ' A' ' 88' ' ' GLY . 68.6 mt-30 -95.75 -78.45 0.46 Allowed 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 171.349 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.478 ' H ' ' HB2' ' A' ' 87' ' ' GLN . . . -146.95 41.1 0.98 Allowed Glycine 0 N--CA 1.444 -0.813 0 N-CA-C 108.885 -1.686 . . . . 0.0 108.885 171.153 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.487 ' HB3' ' HB2' ' A' ' 93' ' ' PHE . 14.6 m120 -74.78 97.5 3.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.452 -0.874 . . . . 0.0 111.628 -170.491 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -136.43 -70.25 0.47 Allowed 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 172.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -68.51 -44.4 74.75 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.578 176.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -63.95 -36.1 82.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.165 176.31 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.621 ' O ' HG23 ' A' ' 97' ' ' VAL . 39.3 t80 -66.78 -49.14 66.84 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.65 -174.801 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.44 -39.51 76.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.477 -178.622 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 11.1 t -60.92 -42.9 99.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.498 179.246 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.431 HD13 ' HA ' ' A' ' 96' ' ' LEU . 4.1 mm? -72.68 -32.49 65.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.813 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 93' ' ' PHE . 93.8 t -61.8 -35.04 65.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.591 0.234 . . . . 0.0 110.578 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -56.08 -37.2 69.01 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.505 178.389 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -69.94 -42.39 73.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.643 -179.116 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.579 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 4.5 t-160 -63.53 -43.61 96.63 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 178.402 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 48.6 tp -63.16 -48.65 77.52 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.224 -178.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -64.03 -35.57 81.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.072 0.463 . . . . 0.0 110.586 178.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -65.27 -49.1 70.85 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.925 -179.082 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.424 ' O ' ' HB2' ' A' ' 107' ' ' HIS . 14.2 mm-40 -66.06 -32.62 74.19 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.929 0.395 . . . . 0.0 110.43 -178.593 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 -65.76 -33.26 75.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.191 -0.458 . . . . 0.0 109.965 174.07 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 57.7 ttt-85 -69.88 -35.0 74.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.526 175.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.432 ' CE1' ' HB3' ' A' ' 73' ' ' ASP . 21.5 m170 -59.0 -40.13 83.94 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.836 175.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 57.3 t -61.75 -41.06 89.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.198 176.31 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -67.62 -36.85 81.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.933 177.502 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -64.28 -29.87 70.95 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.64 177.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 42.3 mm -87.16 -65.0 0.98 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.442 177.248 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -81.71 -34.05 30.79 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.446 0.536 . . . . 0.0 112.446 -171.354 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 97.9 mttt 70.34 -64.59 0.36 Allowed 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.3 0.64 . . . . 0.0 110.485 -172.188 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -121.67 100.12 6.83 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.112 0.482 . . . . 0.0 109.748 171.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.703 -0.665 . . . . 0.0 110.147 -179.352 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.7 ptp . . . . . 0 N--CA 1.484 1.245 0 CA-C-O 120.967 0.413 . . . . 0.0 110.366 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -84.04 -76.31 0.3 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.503 -172.117 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -79.3 13.48 1.89 Allowed 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -174.427 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.552 HD23 HG23 ' A' ' 111' ' ' ILE . 7.7 mp -87.5 8.5 24.61 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.641 0.258 . . . . 0.0 111.236 -175.16 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -68.01 -41.44 82.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.29 -178.136 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -62.04 -36.04 80.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.254 0.55 . . . . 0.0 110.363 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.488 HD13 ' HA ' ' A' ' 4' ' ' LEU . 6.5 mp -70.32 -42.07 72.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.296 -0.866 . . . . 0.0 110.341 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 77.3 mt -61.79 -45.53 93.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.304 179.359 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 58.9 tttm -61.99 -34.61 76.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.685 -176.592 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.41 -46.83 78.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.743 178.22 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -64.03 -43.3 95.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.665 178.244 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -64.09 -36.27 83.47 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.955 179.129 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 53.4 tp60 -66.74 -44.48 81.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.333 179.11 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.621 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -58.93 -46.58 93.43 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.824 -0.703 . . . . 0.0 111.504 176.524 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.481 HG23 ' CD1' ' A' ' 101' ' ' LEU . 67.7 mt -58.4 -42.68 84.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.844 0.354 . . . . 0.0 110.806 176.53 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -60.92 -41.04 95.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.807 -179.331 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.52 ' O ' HG23 ' A' ' 21' ' ' VAL . 69.4 mt -68.32 -43.15 84.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.477 176.842 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.621 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 95.4 mt -57.3 -37.32 72.28 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.45 -178.565 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.436 ' HG3' ' O ' ' A' ' 15' ' ' ILE . 9.7 mtpm? -57.47 -45.11 85.19 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-O 120.99 0.424 . . . . 0.0 111.258 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -73.71 -32.15 63.76 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.396 -179.44 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.621 HG21 HD11 ' A' ' 40' ' ' ILE . 60.3 t -60.87 -37.66 77.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.701 -0.227 . . . . 0.0 110.395 174.42 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 92.4 mt -56.78 -40.28 75.6 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.739 0.304 . . . . 0.0 110.716 175.609 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 29.8 mmtp -57.26 -46.97 82.56 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.478 0.656 . . . . 0.0 110.139 176.008 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.551 ' HD2' ' HG2' ' A' ' 32' ' ' GLU . 70.3 mmtt -79.75 -20.69 45.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.937 -1.029 . . . . 0.0 111.879 -173.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.441 ' HB1' ' HB2' ' A' ' 94' ' ' ALA . . . -71.0 -31.89 68.55 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.122 0.487 . . . . 0.0 109.908 174.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -68.09 -42.36 80.47 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.232 174.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -66.53 -48.74 68.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.594 178.399 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.54 55.22 2.91 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.885 176.586 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.518 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 28.3 t70 -115.72 114.3 24.64 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 173.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -66.55 -30.56 70.9 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.346 -173.398 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -65.25 -48.95 71.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.142 0.496 . . . . 0.0 110.113 178.068 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.551 ' HG2' ' HD2' ' A' ' 24' ' ' LYS . 8.0 tp10 -63.0 -45.49 92.15 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.976 177.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 76.9 mt -59.58 -38.19 80.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.225 179.671 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.519 ' O ' ' HG2' ' A' ' 38' ' ' GLN . . . -65.27 -45.79 83.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.983 179.58 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.4 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 57.2 ttp85 -61.59 -46.37 90.13 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.731 177.809 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.555 ' HB3' HG22 ' A' ' 21' ' ' VAL . 95.4 mt -59.92 -45.2 93.34 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.377 177.556 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.498 ' O ' HG23 ' A' ' 41' ' ' VAL . 66.7 t30 -56.29 -44.11 79.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.925 177.198 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.519 ' HG2' ' O ' ' A' ' 34' ' ' ALA . 14.2 mm100 -57.69 -41.88 82.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.054 178.457 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -67.6 -41.97 83.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.557 179.334 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.621 HD11 HG21 ' A' ' 21' ' ' VAL . 83.1 mt -58.64 -49.85 81.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.72 178.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.503 HG13 HG23 ' A' ' 78' ' ' ILE . 98.3 t -55.04 -48.51 75.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.454 -177.344 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -64.04 -38.0 89.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.692 0.282 . . . . 0.0 111.47 -179.003 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.58 -47.18 67.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.649 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.464 ' O ' HG23 ' A' ' 48' ' ' VAL . 8.4 mm-40 -60.7 -38.42 84.95 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.871 178.829 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.493 ' HE2' HG12 ' A' ' 41' ' ' VAL . 66.3 mttm -59.0 -38.84 80.14 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.922 0.392 . . . . 0.0 110.83 177.795 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 46.0 tp60 -67.03 -39.23 86.95 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.742 -178.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.14 -44.96 94.96 Favored Glycine 0 N--CA 1.45 -0.392 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.768 176.101 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.488 HG22 ' HB3' ' A' ' 74' ' ' GLU . 99.3 t -57.56 -40.07 72.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.894 0.378 . . . . 0.0 110.751 177.745 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -65.37 -49.49 69.13 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.118 -179.519 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 33.1 m -69.71 -31.06 47.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 C-N-CA 121.122 -0.231 . . . . 0.0 111.424 -177.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.408 ' CE2' HD23 ' A' ' 7' ' ' LEU . 9.2 m-85 -71.05 -37.86 72.53 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 121.185 -0.206 . . . . 0.0 110.984 176.693 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.3 mmtp -67.87 -38.56 83.23 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.393 177.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -62.61 -37.42 86.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.246 0.546 . . . . 0.0 109.663 175.07 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.584 ' HA ' ' HB3' ' A' ' 57' ' ' LYS . . . -68.43 -32.58 72.71 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.129 177.08 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.9 -39.73 94.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.797 0.332 . . . . 0.0 111.177 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -86.37 -7.11 58.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.459 0.647 . . . . 0.0 110.361 178.133 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.584 ' HB3' ' HA ' ' A' ' 54' ' ' ALA . 31.5 tptt -87.86 -20.81 25.51 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.007 -0.997 . . . . 0.0 109.863 174.49 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.26 137.9 57.8 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.412 -178.67 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.2 ttt180 -94.42 -24.92 17.14 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.818 -175.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.544 ' HB2' ' HG2' ' A' ' 63' ' ' LYS . 15.6 m120 -130.32 146.01 59.8 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.488 -175.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -54.76 -39.08 91.25 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.924 2.416 . . . . 0.0 112.398 176.523 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -59.18 -38.9 80.94 Favored 'General case' 0 N--CA 1.461 0.124 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.581 178.43 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.544 ' HG2' ' HB2' ' A' ' 60' ' ' ASN . 71.9 mmtt -75.16 -32.95 61.44 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.067 -179.118 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 32.9 ttt180 -62.26 -40.16 95.29 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.186 176.184 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -55.68 -44.41 77.31 Favored 'General case' 0 N--CA 1.455 -0.217 0 O-C-N 123.286 0.366 . . . . 0.0 111.226 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.9 t -62.56 -48.39 88.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.835 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 63.7 mt -69.46 -42.85 81.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.826 -178.511 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -59.97 -38.31 82.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.195 -178.507 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -59.63 -47.75 84.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.06 0.457 . . . . 0.0 110.756 -178.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.484 HG23 ' ND1' ' A' ' 107' ' ' HIS . 26.2 mt -73.62 -38.59 52.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.965 178.415 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -56.34 -48.19 77.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.892 0.377 . . . . 0.0 110.376 178.326 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.98 -41.99 94.95 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.156 179.484 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.465 ' O ' ' HB3' ' A' ' 76' ' ' LYS . 1.3 t70 -69.33 -37.37 77.67 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.915 -176.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.488 ' HB3' HG22 ' A' ' 48' ' ' VAL . 2.7 tp10 -68.25 -35.42 77.88 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.143 -176.497 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -65.8 -43.26 89.24 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 171.372 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.465 ' HB3' ' O ' ' A' ' 73' ' ' ASP . 33.7 ttmt -57.47 -39.44 76.39 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.031 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 63.2 m170 -59.34 -47.75 84.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.062 0.458 . . . . 0.0 110.534 177.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.503 HG23 HG13 ' A' ' 41' ' ' VAL . 61.1 mt -61.48 -48.54 88.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.556 -179.081 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -59.41 -36.95 76.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.373 178.44 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 15.0 t-105 -65.41 -52.29 54.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.582 179.029 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 25.4 m-70 -60.58 -35.69 76.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.913 177.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.78 -35.83 80.99 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 179.057 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.63 -20.65 65.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.597 -179.249 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.19 -10.83 60.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.681 -179.106 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 49.5 m -54.7 139.15 39.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.381 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 97.1 mttt 75.11 -27.09 0.19 Allowed 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.54 0.736 . . . . 0.0 112.485 175.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -68.33 -54.61 16.21 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 176.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 75.3 -106.88 2.18 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.871 -0.68 . . . . 0.0 112.038 178.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 66.71 -176.82 0.2 Allowed 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 122.725 0.41 . . . . 0.0 110.966 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -141.07 -59.75 0.5 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.117 0.484 . . . . 0.0 110.289 178.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.51 ' CD ' ' H ' ' A' ' 91' ' ' GLU . 0.0 OUTLIER -62.11 -41.31 98.1 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.643 178.113 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.489 ' O ' ' HG ' ' A' ' 96' ' ' LEU . 50.7 mt-30 -68.1 -46.1 71.89 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.642 177.561 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.484 ' CE2' HD22 ' A' ' 33' ' ' LEU . 75.9 t80 -63.41 -38.24 90.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.751 -179.406 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.441 ' HB2' ' HB1' ' A' ' 25' ' ' ALA . . . -57.71 -39.92 78.32 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.126 178.142 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.536 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 32.7 t -68.2 -38.05 81.57 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.34 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' A' ' 92' ' ' GLN . 65.5 mt -62.06 -43.03 99.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.81 -177.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 93' ' ' PHE . 38.9 t -64.22 -36.56 77.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.519 179.208 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.409 ' HG3' ' O ' ' A' ' 94' ' ' ALA . 55.1 mt-30 -65.37 -35.1 79.92 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.536 ' HG2' ' O ' ' A' ' 95' ' ' SER . 55.4 mm-40 -69.27 -42.36 75.66 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 178.373 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -64.16 -45.11 89.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.029 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.481 ' CD1' HG23 ' A' ' 15' ' ' ILE . 42.7 tp -59.82 -49.5 77.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.236 -178.763 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.685 ' HB3' HH21 ' A' ' 106' ' ' ARG . 7.6 mm-40 -64.92 -34.83 79.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.352 0.596 . . . . 0.0 110.711 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -66.08 -49.39 67.75 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.331 -0.849 . . . . 0.0 111.218 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -67.34 -30.91 70.86 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.512 0.196 . . . . 0.0 110.8 -177.141 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.484 ' O ' ' HG3' ' A' ' 109' ' ' GLU . 54.8 mt-30 -61.27 -40.65 94.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.015 0.436 . . . . 0.0 110.171 175.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.685 HH21 ' HB3' ' A' ' 102' ' ' GLN . 21.3 mtm180 -72.12 -31.58 66.14 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.988 175.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.484 ' ND1' HG23 ' A' ' 70' ' ' ILE . 13.0 m170 -58.31 -46.84 85.39 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 174.071 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 69.0 t -66.6 -37.77 80.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.127 178.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.566 ' HG2' ' HA ' ' A' ' 114' ' ' LYS . 32.4 mt-10 -59.81 -45.99 90.61 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -178.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -65.48 -29.92 70.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.741 0.305 . . . . 0.0 111.012 -178.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.552 HG23 HD23 ' A' ' 4' ' ' LEU . 48.9 mm -76.93 -58.67 4.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.873 177.442 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -106.12 -102.22 0.34 Allowed 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -176.575 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 55.9 mttp -132.26 -87.48 0.45 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.656 -172.402 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.566 ' HA ' ' HG2' ' A' ' 109' ' ' GLU . 31.6 mmmt -141.97 175.04 10.04 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 -179.4 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.612 HD22 ' N ' ' A' ' 115' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--O 1.244 0.79 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 176.21 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.482 1.152 0 CA-C-O 120.464 0.173 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -99.98 17.54 20.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.843 0.354 . . . . 0.0 111.138 -173.568 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.32 169.71 18.86 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.957 -174.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.64 ' O ' ' HG ' ' A' ' 8' ' ' LEU . 75.9 mt -82.06 55.99 2.99 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.085 0.469 . . . . 0.0 109.844 178.196 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 57.4 ttt180 -58.11 -45.33 87.43 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.441 -0.8 . . . . 0.0 112.192 -170.108 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -70.97 -35.02 71.97 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -177.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.461 HD12 ' HB3' ' A' ' 4' ' ' LEU . 56.3 mt -66.53 -30.92 71.35 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.001 0.429 . . . . 0.0 110.525 -178.108 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.64 ' HG ' ' O ' ' A' ' 4' ' ' LEU . 44.8 mt -62.58 -30.13 71.1 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.427 -178.588 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -60.18 -34.61 73.83 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.359 -174.403 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.87 -46.63 65.1 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.681 -175.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -64.6 -38.27 90.44 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 178.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 76.6 mm-40 -64.24 -42.36 96.57 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.194 176.571 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.447 ' O ' HG13 ' A' ' 17' ' ' ILE . 58.2 tp60 -60.89 -44.99 96.35 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.86 179.29 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.612 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -58.26 -46.48 92.81 Favored Glycine 0 N--CA 1.453 -0.193 0 C-N-CA 120.619 -0.801 . . . . 0.0 111.894 178.368 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.417 ' HA ' HD12 ' A' ' 18' ' ' LEU . 75.1 mt -61.34 -38.85 80.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.016 0.436 . . . . 0.0 110.946 177.728 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.1 tttp -62.77 -42.1 99.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.729 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 13' ' ' GLN . 62.9 mt -67.42 -37.93 79.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.328 178.158 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.612 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 95.6 mt -57.49 -39.12 75.74 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.799 179.3 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -58.59 -45.42 89.14 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 120.933 0.397 . . . . 0.0 110.892 178.287 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -65.32 -41.67 93.74 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.542 -178.067 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.575 HG21 HD11 ' A' ' 40' ' ' ILE . 91.1 t -62.81 -39.61 85.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.147 -179.24 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.603 HD11 HD22 ' A' ' 101' ' ' LEU . 92.4 mt -55.39 -45.8 76.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.823 0.344 . . . . 0.0 110.997 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -66.76 -48.11 70.09 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.769 179.326 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.852 ' HE2' ' HA ' ' A' ' 24' ' ' LYS . 8.3 mmpt? -69.71 -38.03 76.79 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.319 -173.455 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.532 ' HA ' HD11 ' A' ' 33' ' ' LEU . . . -71.54 -35.32 70.61 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.748 0.309 . . . . 0.0 111.036 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.46 ' HE3' ' HB3' ' A' ' 26' ' ' LYS . 0.8 OUTLIER -71.82 -37.24 70.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.336 177.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -71.69 -46.44 58.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.033 177.081 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 117.92 29.01 2.1 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.399 -0.905 . . . . 0.0 113.194 177.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.469 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 4.2 m-20 -81.49 68.61 7.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.207 0.527 . . . . 0.0 110.058 174.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.519 ' HA ' HD12 ' A' ' 33' ' ' LEU . 30.7 mt-10 -63.04 -35.64 80.89 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.655 -174.321 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 56.8 tp60 -67.38 -38.13 84.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.132 0.492 . . . . 0.0 110.639 179.435 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -71.54 -36.31 70.95 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.072 177.446 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.532 HD11 ' HA ' ' A' ' 25' ' ' ALA . 48.0 mt -55.7 -35.46 66.09 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 115.608 -0.723 . . . . 0.0 111.79 -178.61 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.68 -43.08 94.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.898 0.38 . . . . 0.0 110.867 178.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -69.44 -49.09 58.31 Favored 'General case' 0 N--CA 1.442 -0.864 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.116 177.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.533 ' O ' HG13 ' A' ' 40' ' ' ILE . 98.6 mt -59.39 -44.59 92.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.266 -175.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.546 HD22 ' HA ' ' A' ' 85' ' ' SER . 61.9 t30 -58.91 -46.28 88.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.879 -178.688 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -58.91 -44.46 91.24 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.405 -179.306 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -67.56 -31.39 71.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.54 -176.442 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.575 HD11 HG21 ' A' ' 21' ' ' VAL . 75.2 mt -58.39 -49.89 80.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.981 0.42 . . . . 0.0 110.128 175.221 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.681 HG13 HG23 ' A' ' 78' ' ' ILE . 61.9 t -58.15 -45.68 88.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.948 -179.332 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -63.56 -44.88 92.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.471 -179.009 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.52 -47.06 65.02 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -175.482 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -64.85 -45.05 87.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.684 0.278 . . . . 0.0 111.05 -177.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.498 ' O ' HG12 ' A' ' 48' ' ' VAL . 56.9 tttt -69.87 -30.41 67.86 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.945 -176.339 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 46.4 tp60 -60.79 -45.38 94.59 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 173.49 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -69.27 -43.24 71.79 Favored Glycine 0 N--CA 1.448 -0.513 0 CA-C-N 115.4 -0.818 . . . . 0.0 113.043 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.498 HG12 ' O ' ' A' ' 45' ' ' LYS . 2.2 p -59.97 -37.1 70.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.119 0.485 . . . . 0.0 109.882 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.762 ' HA ' ' HE3' ' A' ' 49' ' ' LYS . 0.4 OUTLIER -59.56 -50.25 74.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.652 178.618 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.413 ' HB ' HD22 ' A' ' 7' ' ' LEU . 2.9 m -69.57 -32.45 52.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.825 -0.35 . . . . 0.0 111.518 -179.408 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.536 ' HB3' HD21 ' A' ' 71' ' ' LEU . 21.8 m-85 -65.27 -38.75 91.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.822 0.344 . . . . 0.0 110.287 173.802 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.617 ' HG3' HD22 ' A' ' 71' ' ' LEU . 95.2 mttt -66.97 -33.27 75.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.331 179.01 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -67.78 -42.63 81.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.142 0.496 . . . . 0.0 109.788 174.452 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.36 -32.85 74.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.832 178.648 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.24 -32.73 73.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.197 178.067 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -75.85 -15.77 60.17 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.074 0.464 . . . . 0.0 110.375 178.583 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' A' ' 57' ' ' LYS . 49.0 tttm -112.77 17.69 18.84 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.706 0.765 . . . . 0.0 109.394 -178.297 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.449 ' O ' ' HB2' ' A' ' 59' ' ' ARG . . . -73.98 -26.73 60.62 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.742 -174.72 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.449 ' HB2' ' O ' ' A' ' 58' ' ' ALA . 24.0 mmt180 70.4 -62.2 0.44 Allowed 'General case' 0 N--CA 1.469 0.496 0 O-C-N 123.745 0.653 . . . . 0.0 111.219 -178.484 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.416 ' OD1' ' HB2' ' A' ' 62' ' ' GLU . 28.2 t-20 -91.09 125.2 59.42 Favored Pre-proline 0 C--N 1.32 -0.693 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.353 -179.225 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_endo -59.91 -33.17 95.94 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 123.325 2.683 . . . . 0.0 113.079 -175.665 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.416 ' HB2' ' OD1' ' A' ' 60' ' ' ASN . 43.1 mt-10 -67.79 -30.47 69.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.726 -0.215 . . . . 0.0 111.223 -177.483 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt -75.0 -34.27 61.94 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 176.6 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 23.1 ttt180 -69.01 -34.63 75.58 Favored 'General case' 0 C--O 1.22 -0.492 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.874 175.104 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -55.67 -44.12 76.98 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 120.905 0.383 . . . . 0.0 111.046 177.197 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.755 HG13 ' HG3' ' A' ' 110' ' ' GLU . 97.1 t -60.91 -52.09 65.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.768 178.144 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.58 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 55.8 mt -66.07 -44.4 91.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.045 -178.083 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.456 ' HA ' HD12 ' A' ' 71' ' ' LEU . 31.7 t70 -59.73 -36.92 77.57 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 122.896 0.479 . . . . 0.0 111.753 -176.437 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.419 ' O ' ' HD3' ' A' ' 69' ' ' LYS . 9.2 tmtt? -59.13 -45.05 91.94 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 177.585 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.471 HG23 ' ND1' ' A' ' 107' ' ' HIS . 43.9 mt -71.75 -37.88 64.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.987 176.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.617 HD22 ' HG3' ' A' ' 52' ' ' LYS . 71.8 mt -55.64 -49.62 72.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.158 0.504 . . . . 0.0 110.958 176.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -69.3 -35.75 76.32 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.101 179.095 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.508 ' HB3' ' CE1' ' A' ' 107' ' ' HIS . 0.5 OUTLIER -63.44 -50.19 70.75 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.999 179.281 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.419 ' O ' HG13 ' A' ' 78' ' ' ILE . 3.3 tp10 -63.08 -35.96 81.99 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.071 -0.968 . . . . 0.0 109.827 -175.484 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.58 -34.86 77.83 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.253 0.549 . . . . 0.0 110.424 174.674 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 25.1 tptp -67.52 -31.6 71.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.137 178.615 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.43 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 43.7 m170 -70.99 -48.1 55.11 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.573 0.701 . . . . 0.0 109.954 177.238 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.681 HG23 HG13 ' A' ' 41' ' ' VAL . 93.1 mt -62.11 -42.42 95.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 114.75 -1.114 . . . . 0.0 112.282 -173.804 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 80' ' ' TRP . 4.5 pt-20 -56.8 -35.54 68.86 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.944 0.402 . . . . 0.0 110.747 179.057 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.575 ' CZ2' HD13 ' A' ' 96' ' ' LEU . 15.5 t-105 -71.44 -58.28 3.66 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.732 179.787 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 49.1 m-70 -59.61 -40.5 87.72 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -175.151 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -64.56 -41.23 96.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.73 0.3 . . . . 0.0 110.668 -178.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.94 -33.47 68.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.049 0.452 . . . . 0.0 111.128 178.297 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.42 -9.67 58.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.702 -0.681 . . . . 0.0 112.701 -176.04 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.546 ' HA ' HD22 ' A' ' 37' ' ' ASN . 19.7 m -48.8 94.94 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -177.294 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -153.92 160.78 42.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.247 178.107 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.404 ' HG2' ' O ' ' A' ' 87' ' ' GLN . 0.7 OUTLIER -101.73 104.67 15.48 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 174.096 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.443 ' HA2' ' OE2' ' A' ' 30' ' ' GLU . . . 150.76 -153.09 24.8 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.025 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.434 ' HB2' ' O ' ' A' ' 88' ' ' GLY . 5.5 m-20 73.42 -55.66 0.67 Allowed 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.419 0.688 . . . . 0.0 111.768 178.321 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 59.6 -94.91 0.05 Allowed 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 176.367 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 92' ' ' GLN . 13.7 pt-20 -64.11 -44.89 90.88 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -170.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.416 ' N ' ' HG3' ' A' ' 91' ' ' GLU . 19.0 pt20 -68.09 -34.36 76.26 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.113 0.482 . . . . 0.0 110.027 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.426 ' O ' HG23 ' A' ' 97' ' ' VAL . 86.4 t80 -66.11 -46.54 77.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.99 177.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.405 ' HB2' ' HB3' ' A' ' 25' ' ' ALA . . . -58.32 -42.46 86.81 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.351 178.74 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 50.0 m -60.75 -40.6 93.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.104 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.575 HD13 ' CZ2' ' A' ' 80' ' ' TRP . 73.5 mt -72.26 -33.24 67.35 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.167 -178.778 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 93' ' ' PHE . 98.5 t -71.72 -35.62 56.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.154 0.502 . . . . 0.0 110.486 175.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.39 -44.02 84.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.163 179.439 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -66.89 -34.1 77.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.802 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.43 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 6.7 t-160 -60.24 -43.87 95.72 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 175.17 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.603 HD22 HD11 ' A' ' 22' ' ' LEU . 40.3 tp -60.19 -45.58 92.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.967 179.119 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -61.51 -39.92 92.73 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-O 121.151 0.501 . . . . 0.0 110.575 178.681 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -59.97 -48.78 80.29 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.475 179.293 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.403 ' O ' HG23 ' A' ' 108' ' ' VAL . 28.7 mm-40 -64.57 -20.3 66.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.28 -176.01 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.459 ' HG3' ' O ' ' A' ' 101' ' ' LEU . 77.8 mt-30 -63.15 -38.53 91.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.96 0.409 . . . . 0.0 109.94 176.746 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 25.0 mmt180 -70.07 -33.19 71.6 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.157 175.657 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.508 ' CE1' ' HB3' ' A' ' 73' ' ' ASP . 14.3 m170 -60.44 -50.21 74.49 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.022 177.543 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 104' ' ' GLU . 58.1 t -63.09 -40.8 90.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.442 -178.52 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.663 ' O ' ' HG2' ' A' ' 113' ' ' LYS . 21.2 mt-10 -58.0 -48.67 79.34 Favored 'General case' 0 CA--C 1.519 -0.213 0 N-CA-C 111.627 0.232 . . . . 0.0 111.627 -178.712 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.755 ' HG3' HG13 ' A' ' 66' ' ' VAL . 14.5 tp10 -70.53 -33.45 71.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.887 0.375 . . . . 0.0 110.313 -176.205 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.492 HG12 ' O ' ' A' ' 107' ' ' HIS . 28.7 mm -56.92 -48.86 80.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.074 173.304 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.55 ' HA ' ' HB3' ' A' ' 115' ' ' ASN . 47.7 mt-10 -75.42 -11.41 60.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.895 -176.835 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.663 ' HG2' ' O ' ' A' ' 109' ' ' GLU . 34.6 mmtp -73.41 -34.31 65.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.266 0.555 . . . . 0.0 109.744 174.005 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -98.32 -5.7 32.38 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.466 -179.159 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.55 ' HB3' ' HA ' ' A' ' 112' ' ' GLU . 5.9 t30 . . . . . 0 C--O 1.246 0.888 0 CA-C-O 118.455 -0.784 . . . . 0.0 110.744 -177.354 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 mpp? . . . . . 0 N--CA 1.482 1.137 0 CA-C-O 120.819 0.342 . . . . 0.0 110.214 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.433 ' O ' ' HG2' ' A' ' 6' ' ' GLU . 1.7 m-20 -94.47 108.76 20.68 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.105 0.478 . . . . 0.0 110.428 -178.429 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -56.61 123.03 13.46 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.312 -175.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.8 mt 70.56 -44.48 0.58 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.347 -0.842 . . . . 0.0 112.619 178.63 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.44 -51.21 70.79 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -170.38 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.66 ' HG3' HD12 ' A' ' 7' ' ' LEU . 11.8 pt-20 -72.35 -35.31 68.51 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.37 -0.532 . . . . 0.0 111.523 -179.485 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.66 HD12 ' HG3' ' A' ' 6' ' ' GLU . 6.9 mp -68.72 -43.15 76.58 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.611 0.243 . . . . 0.0 111.141 -177.817 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.562 ' O ' ' HG2' ' A' ' 12' ' ' GLN . 55.3 mt -64.8 -33.82 76.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.932 -179.623 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 53.0 tttp -59.03 -38.2 78.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.535 -173.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.18 -46.32 74.33 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 111.548 0.203 . . . . 0.0 111.548 -177.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -64.37 -37.71 88.47 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 121.007 0.432 . . . . 0.0 109.946 178.347 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.562 ' HG2' ' O ' ' A' ' 8' ' ' LEU . 85.3 mm-40 -66.28 -43.36 86.63 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.8 176.823 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.437 ' O ' HG13 ' A' ' 17' ' ' ILE . 8.4 mm-40 -62.34 -41.32 98.47 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.505 -179.432 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.6 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -58.66 -46.38 93.41 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.699 -0.763 . . . . 0.0 111.987 179.334 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.472 ' HA ' HD12 ' A' ' 18' ' ' LEU . 68.2 mt -61.27 -42.1 92.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.818 0.342 . . . . 0.0 110.779 178.366 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.755 ' HA ' ' HE2' ' A' ' 19' ' ' LYS . 80.1 tttt -58.25 -47.44 83.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.666 178.597 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.55 ' O ' HG23 ' A' ' 21' ' ' VAL . 70.5 mt -63.47 -39.46 85.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.443 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.6 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 95.7 mt -56.75 -39.49 74.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.289 -178.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.755 ' HE2' ' HA ' ' A' ' 16' ' ' LYS . 42.9 mtmt -61.15 -45.86 92.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.28 0.562 . . . . 0.0 110.591 179.409 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.02 -32.18 63.26 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.621 -177.539 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.667 HG21 HD11 ' A' ' 40' ' ' ILE . 64.9 t -59.85 -49.77 82.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.795 -0.184 . . . . 0.0 111.181 177.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 19' ' ' LYS . 4.3 pp -66.69 -34.25 77.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.335 0.588 . . . . 0.0 109.783 177.076 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.17 -47.65 85.21 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.422 178.726 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 32.9 tptt -78.12 -22.33 49.03 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.872 -175.61 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.525 ' HA ' HD11 ' A' ' 33' ' ' LEU . . . -64.64 -36.01 82.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.49 177.099 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -71.83 -27.43 62.9 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.452 177.432 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -74.04 -43.17 58.81 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.073 176.282 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.8 37.68 5.16 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.687 -0.768 . . . . 0.0 114.337 169.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -97.19 106.26 18.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 117.526 0.663 . . . . 0.0 109.476 172.533 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -66.93 -38.74 86.73 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.487 -175.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -63.64 -44.17 94.65 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 120.807 0.337 . . . . 0.0 110.642 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.502 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 7.6 tp10 -64.35 -47.21 80.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.889 176.626 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.525 HD11 ' HA ' ' A' ' 25' ' ' ALA . 25.5 mt -56.82 -40.77 76.61 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.821 -179.633 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.18 -45.5 91.48 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.757 0.313 . . . . 0.0 110.981 178.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 13.5 ttp180 -66.37 -41.66 89.12 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.063 178.575 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.579 ' HB3' HG22 ' A' ' 21' ' ' VAL . 97.7 mt -59.87 -45.45 92.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.789 0.328 . . . . 0.0 110.605 178.314 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -59.82 -42.87 94.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.271 178.17 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 64.8 mm-40 -66.67 -36.84 83.49 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.378 177.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -67.04 -37.59 84.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.737 -178.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.667 HD11 HG21 ' A' ' 21' ' ' VAL . 74.9 mt -56.94 -47.04 83.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.248 176.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.411 HG13 ' CG2' ' A' ' 78' ' ' ILE . 94.7 t -54.07 -48.18 65.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.889 179.517 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.42 ' HD3' ' HA ' ' A' ' 42' ' ' LYS . 51.2 mmtt -63.29 -45.67 90.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.767 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.03 -46.77 86.0 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.395 -177.432 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.514 ' O ' HG23 ' A' ' 48' ' ' VAL . 4.8 mt-10 -71.21 -35.74 71.63 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.416 -178.284 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.509 ' HG2' HD13 ' A' ' 78' ' ' ILE . 18.2 mmtm -59.23 -41.24 88.2 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 120.777 0.323 . . . . 0.0 111.333 176.24 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 47.1 tp60 -63.2 -40.65 98.11 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.43 -41.58 97.97 Favored Glycine 0 N--CA 1.451 -0.367 0 CA-C-N 115.716 -0.674 . . . . 0.0 112.057 177.582 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 44' ' ' GLU . 92.6 t -58.3 -47.45 87.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.555 0.217 . . . . 0.0 111.183 178.181 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 74.3 tttt -63.06 -45.67 91.07 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.71 -0.223 . . . . 0.0 111.574 -176.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 33.8 m -69.72 -30.59 45.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 120.72 0.295 . . . . 0.0 110.996 -179.321 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.421 ' HE1' ' HB3' ' A' ' 7' ' ' LEU . 5.5 m-30 -68.06 -39.95 82.89 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 174.665 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.447 ' CG ' HD11 ' A' ' 71' ' ' LEU . 25.7 mtpp -60.71 -38.85 86.45 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.034 176.239 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -57.11 -47.42 81.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.582 177.553 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.05 -38.67 66.4 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.771 179.073 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.91 -47.97 70.11 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -176.063 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -75.41 -7.51 54.26 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.932 0.396 . . . . 0.0 111.494 -179.273 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -120.44 20.75 11.83 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.506 178.092 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -79.62 130.41 35.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.265 0.555 . . . . 0.0 112.113 -173.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 60.4 ttt180 -93.92 -31.27 14.36 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.459 175.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -99.07 116.65 65.08 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.327 -179.088 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -68.15 -32.89 26.32 Favored 'Trans proline' 0 C--O 1.234 0.318 0 C-N-CA 122.954 2.436 . . . . 0.0 112.913 -176.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -64.24 -45.37 88.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.88 -175.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -75.81 -31.51 59.44 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.767 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -64.87 -36.82 85.58 Favored 'General case' 0 C--O 1.221 -0.429 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 179.226 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.78 -44.9 90.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.867 0.365 . . . . 0.0 110.234 177.235 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 54.3 t -62.98 -50.07 81.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.485 178.431 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 80.8 mt -61.32 -44.9 99.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.808 179.362 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -56.07 -48.94 75.11 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 123.046 0.538 . . . . 0.0 111.292 -176.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.487 ' HA ' ' HE3' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -67.82 -44.6 76.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.814 -178.582 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.467 HG23 ' ND1' ' A' ' 107' ' ' HIS . 31.4 mt -68.66 -38.39 78.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.677 0.275 . . . . 0.0 111.059 -179.704 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.447 HD11 ' CG ' ' A' ' 52' ' ' LYS . 6.7 tt -56.29 -49.08 75.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.454 0.645 . . . . 0.0 109.625 174.017 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -64.37 -39.03 93.08 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.989 -179.481 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.45 ' HB3' ' CE1' ' A' ' 107' ' ' HIS . 0.8 OUTLIER -66.47 -44.21 83.33 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.422 178.487 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -60.93 -38.63 86.49 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.109 -0.951 . . . . 0.0 110.619 -175.672 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -69.9 -35.0 74.26 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-O 121.291 0.567 . . . . 0.0 110.173 175.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -63.95 -33.31 75.44 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.398 178.68 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.413 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 62.5 m170 -60.16 -48.33 82.18 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.304 0.573 . . . . 0.0 110.376 176.137 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.509 HD13 ' HG2' ' A' ' 45' ' ' LYS . 73.7 mt -64.26 -42.24 94.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.663 -177.345 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -57.7 -40.37 79.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.552 175.173 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 25.2 t-105 -67.2 -51.12 57.3 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -56.04 -40.08 72.96 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 120.757 0.313 . . . . 0.0 111.188 178.385 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 26.2 ttmt -63.08 -48.19 79.69 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.801 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.08 -29.91 65.89 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.709 -176.505 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.25 -11.9 60.17 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.918 0.39 . . . . 0.0 111.326 -178.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.6 m -85.12 42.75 0.96 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.975 0.417 . . . . 0.0 111.257 -177.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -107.44 -60.37 1.7 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.293 178.32 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 9.7 tm0? -160.47 123.89 3.47 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 178.426 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 124.68 67.75 0.2 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.051 178.249 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.568 ' HA ' ' HB2' ' A' ' 93' ' ' PHE . 9.6 p30 -107.91 -172.18 2.01 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.571 0.224 . . . . 0.0 110.484 -177.438 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 62.5 -91.26 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 115.703 -0.681 . . . . 0.0 112.097 -179.221 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -69.82 -48.98 56.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.861 0.362 . . . . 0.0 110.938 -173.172 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.444 ' O ' ' HG ' ' A' ' 96' ' ' LEU . 77.0 mt-30 -69.49 -35.62 75.74 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.308 0.575 . . . . 0.0 110.087 177.586 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.568 ' HB2' ' HA ' ' A' ' 89' ' ' ASN . 55.4 t80 -62.69 -45.52 92.4 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.024 -0.989 . . . . 0.0 111.169 -177.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.15 -36.96 83.4 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.8 0.333 . . . . 0.0 110.942 179.009 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 17.6 m -64.4 -35.83 82.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.733 178.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 92' ' ' GLN . 94.2 mt -68.66 -35.78 77.69 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.594 178.432 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 93' ' ' PHE . 57.4 t -62.7 -38.53 81.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.018 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -60.19 -38.15 82.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.816 0.341 . . . . 0.0 111.006 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -70.27 -42.39 72.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.421 -179.569 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.432 ' O ' ' HG2' ' A' ' 104' ' ' GLU . 4.3 t-160 -63.27 -43.43 97.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.787 178.368 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.466 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 44.3 tp -61.53 -48.12 82.46 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.319 -178.512 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -60.27 -41.16 92.69 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-O 121.288 0.566 . . . . 0.0 110.416 178.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -61.1 -49.13 78.55 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.301 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' A' ' 100' ' ' HIS . 18.4 mm-40 -65.99 -26.84 67.73 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.205 -177.064 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.466 ' HG3' ' O ' ' A' ' 101' ' ' LEU . 78.3 mt-30 -60.88 -46.64 89.81 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 175.123 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 31.3 mmm180 -66.8 -31.81 72.68 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.268 178.033 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.505 ' O ' HG12 ' A' ' 111' ' ' ILE . 10.7 m170 -59.33 -50.87 72.34 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.975 0.417 . . . . 0.0 110.128 175.245 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 95.5 t -67.79 -43.33 86.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.393 -178.649 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.456 ' HG3' ' O ' ' A' ' 105' ' ' GLN . 46.2 mt-10 -58.85 -35.63 73.24 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 120.799 0.333 . . . . 0.0 110.974 179.08 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 19.8 tp10 -71.71 -45.03 63.11 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.708 178.133 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.505 HG12 ' O ' ' A' ' 107' ' ' HIS . 33.4 mm -62.28 -60.67 2.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-O 121.04 0.448 . . . . 0.0 111.067 179.65 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -95.3 68.16 3.02 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-O 121.475 0.655 . . . . 0.0 110.686 -170.466 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -49.68 -45.14 48.42 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.652 -1.158 . . . . 0.0 111.11 174.386 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -115.65 90.39 3.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.069 179.426 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 37.8 t-20 . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.094 -0.955 . . . . 0.0 108.561 173.635 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 tmt? . . . . . 0 N--CA 1.483 1.181 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 55.16 54.94 8.14 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.306 -0.861 . . . . 0.0 112.998 165.303 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -62.24 -37.56 85.86 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 171.084 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.598 ' O ' ' HG ' ' A' ' 8' ' ' LEU . 44.1 tp 73.26 -66.69 0.3 Allowed 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 114.47 -1.241 . . . . 0.0 112.464 172.151 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 20.8 mtp180 -58.97 -50.58 73.52 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -170.021 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.407 ' HA ' ' HD3' ' A' ' 9' ' ' LYS . 3.9 tp10 -71.21 -35.06 71.4 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.173 0.511 . . . . 0.0 110.295 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 22.3 mt -65.96 -42.27 90.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.518 -173.072 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.598 ' HG ' ' O ' ' A' ' 4' ' ' LEU . 80.2 mt -63.57 -30.87 71.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.03 0.443 . . . . 0.0 111.477 -176.775 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.407 ' HD3' ' HA ' ' A' ' 6' ' ' GLU . 55.8 mtpt -60.91 -33.49 73.21 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.847 -176.682 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.06 -46.43 87.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.772 -0.195 . . . . 0.0 111.482 -178.463 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -66.2 -37.28 85.21 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.791 0.329 . . . . 0.0 110.219 177.611 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 78.2 mm-40 -61.75 -43.09 99.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.342 175.129 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -62.73 -43.12 99.62 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.184 178.134 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.56 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -59.89 -47.64 90.01 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.557 -0.83 . . . . 0.0 111.992 179.201 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 76.5 mt -64.47 -41.35 92.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.143 0.496 . . . . 0.0 110.074 178.484 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.406 ' HA ' ' HD3' ' A' ' 19' ' ' LYS . 87.9 tttt -57.13 -45.71 83.28 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.145 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.47 ' O ' HG23 ' A' ' 21' ' ' VAL . 67.2 mt -69.51 -40.29 79.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.789 178.787 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.56 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 95.2 mt -58.2 -42.47 86.22 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 120.911 0.386 . . . . 0.0 110.58 177.106 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.406 ' HD3' ' HA ' ' A' ' 16' ' ' LYS . 53.8 mtpt -56.72 -36.94 70.29 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.174 175.103 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -69.91 -39.99 75.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.394 177.591 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.473 HG21 HD11 ' A' ' 40' ' ' ILE . 60.0 t -60.45 -39.77 82.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.121 177.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 95.9 mt -55.94 -41.94 75.42 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 177.48 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.7 mmmt -72.22 -46.78 54.7 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.093 179.053 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.599 ' HG2' ' HG2' ' A' ' 32' ' ' GLU . 1.6 mptm? -72.48 -18.2 61.69 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -175.38 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.62 98.42 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.831 0.348 . . . . 0.0 110.575 176.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -72.07 -19.67 61.78 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.782 -179.053 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.493 ' HG2' ' HA ' ' A' ' 24' ' ' LYS . 33.1 mm-40 -62.07 -26.59 68.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.969 0.414 . . . . 0.0 110.453 177.42 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 74.75 30.71 59.32 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.961 -0.637 . . . . 0.0 112.447 178.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.411 ' OD2' ' HB3' ' A' ' 31' ' ' GLN . 22.9 t70 -121.92 120.66 35.12 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.066 0.46 . . . . 0.0 110.592 -179.408 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -87.26 -18.53 30.01 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.72 -175.645 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.411 ' HB3' ' OD2' ' A' ' 29' ' ' ASP . 55.7 tt0 -63.08 -47.74 81.62 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.029 176.082 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.599 ' HG2' ' HG2' ' A' ' 24' ' ' LYS . 3.9 tp10 -65.17 -42.66 93.46 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.44 175.249 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 76.4 mt -56.75 -44.03 81.34 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.118 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.74 -44.82 96.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.657 178.277 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -59.6 -49.94 75.79 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.087 177.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.551 ' O ' HG13 ' A' ' 40' ' ' ILE . 88.4 mt -63.01 -44.32 96.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.726 -179.084 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.487 ' HA ' HD12 ' A' ' 40' ' ' ILE . 6.6 t30 -57.96 -40.56 80.87 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.715 -179.073 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -68.74 -39.57 80.27 Favored 'General case' 0 N--CA 1.437 -1.122 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.057 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -66.8 -32.23 73.38 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.648 -0.251 . . . . 0.0 110.788 178.139 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.551 HG13 ' O ' ' A' ' 36' ' ' LEU . 87.9 mt -57.79 -49.64 80.24 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.121 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 173.475 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.492 HG22 HG23 ' A' ' 78' ' ' ILE . 95.4 t -56.52 -46.55 82.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.872 177.074 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -62.54 -44.45 96.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.271 -179.041 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.73 -47.19 63.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.4 -177.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.484 ' O ' HG23 ' A' ' 48' ' ' VAL . 42.7 mt-10 -66.33 -41.32 89.8 Favored 'General case' 0 C--O 1.223 -0.327 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.906 -177.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.537 ' HA ' ' HB ' ' A' ' 48' ' ' VAL . 49.6 mttt -69.72 -28.57 65.93 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 178.656 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 22.2 tp60 -59.39 -42.28 91.35 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 170.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -68.83 -45.62 63.77 Favored Glycine 0 N--CA 1.45 -0.432 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.967 173.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.537 ' HB ' ' HA ' ' A' ' 45' ' ' LYS . 69.1 t -54.18 -38.26 38.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.506 0.193 . . . . 0.0 110.827 177.308 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 49.4 tptt -56.93 -52.4 65.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.024 -179.412 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 16.9 m -72.51 -35.33 50.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.959 -178.66 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -72.12 -37.35 69.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.767 -0.197 . . . . 0.0 111.513 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.506 ' HE2' HD11 ' A' ' 71' ' ' LEU . 33.4 ttmt -65.85 -32.52 74.09 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.162 0.506 . . . . 0.0 110.033 178.178 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.84 -44.53 76.97 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.594 173.466 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.01 -32.53 69.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.143 -0.935 . . . . 0.0 112.442 -176.522 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.425 ' O ' ' HG2' ' A' ' 64' ' ' ARG . . . -58.1 -37.73 75.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.088 0.47 . . . . 0.0 111.856 -177.44 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -91.31 8.88 33.84 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.451 -178.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.432 ' HE3' ' HB2' ' A' ' 57' ' ' LYS . 34.2 ttmt -144.95 26.5 1.36 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.611 0.72 . . . . 0.0 109.914 -174.413 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.96 -13.76 59.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.43 -0.805 . . . . 0.0 112.381 -174.002 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 54.8 mmm-85 71.58 -63.26 0.43 Allowed 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.196 0.598 . . . . 0.0 111.509 178.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -88.24 141.5 30.96 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.952 -178.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_endo -58.94 -36.0 97.62 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.828 2.352 . . . . 0.0 112.433 178.61 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.42 ' O ' HG23 ' A' ' 66' ' ' VAL . 47.2 tt0 -64.4 -44.78 90.2 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-O 120.848 0.356 . . . . 0.0 110.296 179.313 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -62.76 -42.85 99.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.828 178.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.444 ' NH1' ' HB2' ' A' ' 68' ' ' ASP . 0.1 OUTLIER -60.68 -41.65 95.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.512 -178.515 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.69 -45.43 65.01 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.328 -179.681 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 62' ' ' GLU . 79.7 t -62.06 -48.19 89.64 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-O 120.825 0.345 . . . . 0.0 110.927 -178.305 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 78.7 mt -61.8 -40.75 88.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.551 179.527 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.444 ' HB2' ' NH1' ' A' ' 64' ' ' ARG . 24.1 t70 -63.08 -45.08 93.8 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.792 0.33 . . . . 0.0 111.059 -178.823 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 50.5 tttp -58.76 -46.54 87.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.748 -179.519 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.432 HG23 ' ND1' ' A' ' 107' ' ' HIS . 22.9 mt -72.77 -38.61 58.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.311 179.422 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.506 HD11 ' HE2' ' A' ' 52' ' ' LYS . 2.1 tm? -58.92 -48.64 80.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.878 0.371 . . . . 0.0 110.179 179.309 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -65.02 -36.69 85.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.255 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.459 ' HB3' ' CE1' ' A' ' 107' ' ' HIS . 0.9 OUTLIER -70.92 -41.51 71.1 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.482 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.4 ' HB2' ' O ' ' A' ' 70' ' ' ILE . 1.5 tp10 -63.97 -41.61 97.5 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.19 -177.092 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -66.86 -34.55 78.05 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 121.362 0.601 . . . . 0.0 109.682 175.151 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.451 ' HB3' ' O ' ' A' ' 73' ' ' ASP . 31.9 ttmt -63.5 -40.31 96.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.756 177.416 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.501 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 56.3 m170 -61.07 -47.73 85.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.614 0.721 . . . . 0.0 109.764 177.731 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.515 ' CD1' ' HG3' ' A' ' 45' ' ' LYS . 76.7 mt -64.21 -44.76 97.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 114.786 -1.097 . . . . 0.0 112.062 -175.525 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.45 ' HG2' ' HA ' ' A' ' 76' ' ' LYS . 4.6 pt-20 -64.01 -32.02 73.42 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.21 178.207 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 22.7 t-105 -68.18 -54.12 20.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.082 177.32 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 37.1 m-70 -60.27 -39.13 85.75 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.232 -0.44 . . . . 0.0 112.041 178.702 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 51.6 tptt -60.63 -42.93 97.87 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.675 0.274 . . . . 0.0 110.764 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.01 -43.03 79.76 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.237 -178.697 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.4 -18.77 59.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.506 -177.622 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.439 ' HB2' ' ND2' ' A' ' 37' ' ' ASN . 47.9 t -62.18 -20.92 64.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.768 -177.367 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 10.4 mtmp? -117.53 23.2 11.92 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.802 0.334 . . . . 0.0 111.12 -176.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -118.84 139.93 50.8 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.674 0.273 . . . . 0.0 110.67 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -80.63 102.56 2.12 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.265 176.236 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.525 ' OD1' ' HB2' ' A' ' 92' ' ' GLN . 23.0 t-20 -137.65 -56.57 0.68 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.727 0.298 . . . . 0.0 111.098 -173.567 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 67.89 -80.46 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 177.453 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -68.77 -47.81 65.27 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 -167.57 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.525 ' HB2' ' OD1' ' A' ' 89' ' ' ASN . 2.0 mp0 -67.86 -33.75 75.37 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.984 0.421 . . . . 0.0 110.085 -178.495 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.466 ' O ' HG23 ' A' ' 97' ' ' VAL . 72.6 t80 -55.7 -38.36 69.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.786 175.196 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.77 -38.56 88.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.9 178.525 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 35.6 m -68.47 -33.23 73.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.452 177.412 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.463 HD12 ' HA ' ' A' ' 93' ' ' PHE . 85.3 mt -65.42 -34.24 77.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.545 178.551 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 93' ' ' PHE . 49.2 t -64.78 -37.07 79.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.322 177.537 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -62.49 -38.36 89.6 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 176.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -63.92 -41.82 97.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.948 0.404 . . . . 0.0 110.201 177.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.501 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 4.3 t-160 -65.47 -42.97 91.67 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.903 179.503 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.474 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 0.2 OUTLIER -58.31 -46.83 85.41 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.931 178.719 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -68.13 -35.6 78.36 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.895 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -65.96 -47.38 74.78 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.994 -177.546 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.425 ' O ' HG23 ' A' ' 108' ' ' VAL . 40.9 mm-40 -64.62 -24.48 67.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.608 0.242 . . . . 0.0 110.796 -177.371 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.474 ' HG3' ' O ' ' A' ' 101' ' ' LEU . 77.9 mt-30 -64.17 -37.24 86.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.972 0.415 . . . . 0.0 109.945 175.225 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 4.4 tpm_? -66.71 -38.69 87.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.396 174.491 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.603 ' O ' HG13 ' A' ' 111' ' ' ILE . 17.0 m170 -60.22 -49.87 75.9 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.129 177.003 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 104' ' ' GLU . 76.0 t -59.57 -43.18 90.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.56 -179.368 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -63.1 -34.04 76.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.788 0.328 . . . . 0.0 111.284 178.611 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.74 -34.17 73.45 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.879 177.423 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.603 HG13 ' O ' ' A' ' 107' ' ' HIS . 44.5 mt -81.23 -60.32 2.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.512 -177.506 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -81.03 50.74 1.44 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.62 0.724 . . . . 0.0 110.741 -175.614 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -67.93 -42.1 81.57 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.096 -0.957 . . . . 0.0 110.839 179.464 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -129.29 25.31 5.49 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.275 0.559 . . . . 0.0 110.259 -178.669 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 9.0 t30 . . . . . 0 C--O 1.246 0.876 0 CA-C-O 118.495 -0.764 . . . . 0.0 109.625 -178.519 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.0 ptt? . . . . . 0 N--CA 1.479 1.015 0 CA-C-O 120.74 0.305 . . . . 0.0 110.356 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -120.38 120.34 35.7 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.043 -178.29 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -133.31 -68.6 0.58 Allowed 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 178.062 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.707 ' HG ' HD12 ' A' ' 7' ' ' LEU . 8.3 mp 61.49 18.7 9.66 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.486 177.696 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 13.1 ttp180 -57.94 -49.81 75.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.516 -176.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -70.1 -34.42 73.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.826 0.346 . . . . 0.0 111.112 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.707 HD12 ' HG ' ' A' ' 4' ' ' LEU . 72.7 mt -64.91 -28.99 69.91 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.651 -174.506 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' ' 4' ' ' LEU . 95.8 mt -62.66 -31.59 72.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.817 0.342 . . . . 0.0 111.595 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -61.1 -34.44 74.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.577 -177.671 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.78 -47.11 85.85 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.871 0.323 . . . . 0.0 111.871 -176.26 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.433 ' O ' HG13 ' A' ' 15' ' ' ILE . 6.0 tp10 -68.98 -41.51 77.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.948 0.404 . . . . 0.0 110.001 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -60.01 -42.99 95.51 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.232 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 57.1 tp60 -61.19 -43.67 98.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.62 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.499 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -59.91 -46.0 94.88 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.872 -0.68 . . . . 0.0 111.918 178.017 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.512 ' HA ' HD12 ' A' ' 18' ' ' LEU . 67.8 mt -62.25 -39.39 83.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.862 0.363 . . . . 0.0 110.888 179.308 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? -61.17 -46.21 91.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.073 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 64.4 mt -64.68 -37.6 80.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.75 179.012 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.538 ' HB3' HD21 ' A' ' 101' ' ' LEU . 95.7 mt -57.87 -37.6 74.22 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.123 177.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -62.99 -36.39 83.36 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.092 179.122 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -72.27 -35.08 68.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.166 0.507 . . . . 0.0 109.938 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.658 HG21 HD11 ' A' ' 40' ' ' ILE . 99.4 t -63.1 -39.6 85.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.917 178.064 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 95.9 mt -55.73 -35.66 66.38 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.824 177.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -71.16 -47.49 57.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.501 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 64.2 mmtt -69.04 -28.63 66.72 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.823 -177.237 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.88 -40.81 95.7 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.004 0.431 . . . . 0.0 110.612 177.643 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -72.78 -25.8 61.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.661 177.262 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -70.33 -42.62 71.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.962 0.41 . . . . 0.0 110.018 173.512 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.49 33.35 9.38 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.933 -0.651 . . . . 0.0 113.041 174.268 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.447 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 11.6 t70 -103.01 100.51 10.45 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 175.067 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.404 ' HB3' ' HA3' ' A' ' 88' ' ' GLY . 34.0 mt-10 -70.59 -20.72 62.74 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.444 -174.354 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -70.33 -48.56 55.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.079 0.466 . . . . 0.0 109.941 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.44 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 48.7 mt-10 -67.49 -38.37 84.25 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.387 176.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 75.2 mt -58.53 -44.1 89.45 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.264 178.442 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.05 -41.72 98.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.868 178.311 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 63.9 ttt180 -67.03 -38.55 86.11 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 120.7 0.286 . . . . 0.0 110.65 177.192 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.543 ' O ' HG13 ' A' ' 40' ' ' ILE . 87.5 mt -61.83 -40.32 94.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.249 176.786 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.523 ' O ' HG23 ' A' ' 41' ' ' VAL . 81.9 m-20 -55.74 -46.99 77.68 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.29 175.542 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -58.69 -44.74 90.38 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.127 176.322 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 27.6 tp10 -63.85 -38.96 93.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.312 -178.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.658 HD11 HG21 ' A' ' 21' ' ' VAL . 85.9 mt -61.99 -49.12 85.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.368 176.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.587 HG22 HG23 ' A' ' 78' ' ' ILE . 93.4 t -53.78 -45.0 61.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.968 178.795 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.469 ' HE2' ' O ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -61.89 -43.26 99.22 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.477 179.645 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.67 -46.91 65.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.664 -177.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.44 ' O ' HG23 ' A' ' 48' ' ' VAL . 43.1 mt-10 -68.06 -40.39 82.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.148 -177.282 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.55 ' HG3' HD13 ' A' ' 78' ' ' ILE . 50.8 mttm -62.59 -30.16 71.13 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 116.76 -0.2 . . . . 0.0 111.482 178.177 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 58.3 tp60 -59.29 -43.0 92.59 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 176.675 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -69.66 -47.03 51.55 Favored Glycine 0 N--CA 1.448 -0.552 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.939 175.448 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.462 HG11 ' HG2' ' A' ' 75' ' ' GLU . 96.4 t -56.47 -42.56 75.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.68 0.276 . . . . 0.0 111.44 -179.142 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.7 tmtt? -61.53 -50.63 71.92 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.945 -177.373 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 19.4 m -69.66 -31.02 47.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.992 -178.333 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.559 ' HE1' ' HB3' ' A' ' 7' ' ' LEU . 21.0 m-30 -70.16 -44.22 69.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.358 177.205 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.708 ' HG3' HD21 ' A' ' 71' ' ' LEU . 51.0 mttm -61.61 -40.44 94.83 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.311 179.632 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -67.06 -44.94 78.85 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.465 -178.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.07 -32.44 65.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.363 -178.169 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.39 -42.37 73.93 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 112.462 0.542 . . . . 0.0 112.462 -173.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -71.49 -19.81 62.15 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.677 0.275 . . . . 0.0 111.357 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 49.6 mttp -106.41 17.39 23.45 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.811 0.339 . . . . 0.0 111.515 -177.382 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -74.0 130.02 39.03 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.214 176.502 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.7 mpt_? -88.73 23.52 2.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.902 0.382 . . . . 0.0 110.943 -177.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.512 ' HB3' ' HB2' ' A' ' 63' ' ' LYS . 34.1 t-20 -161.72 124.8 1.83 Allowed Pre-proline 0 C--N 1.322 -0.598 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 -178.048 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.461 ' O ' ' HG2' ' A' ' 65' ' ' GLN . 17.4 Cg_endo -57.49 -47.78 20.26 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.892 2.395 . . . . 0.0 112.787 -176.738 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.416 ' O ' HG23 ' A' ' 66' ' ' VAL . 30.5 mt-10 -67.49 -34.72 77.73 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 121.024 -0.27 . . . . 0.0 110.496 -179.66 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.512 ' HB2' ' HB3' ' A' ' 60' ' ' ASN . 29.2 mmtp -59.08 -39.62 82.7 Favored 'General case' 0 CA--C 1.518 -0.261 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 175.193 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 21.2 ttt180 -68.39 -49.58 59.08 Favored 'General case' 0 C--O 1.219 -0.524 0 C-N-CA 120.451 -0.5 . . . . 0.0 110.287 175.04 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.461 ' HG2' ' O ' ' A' ' 61' ' ' PRO . 17.2 mm-40 -59.38 -36.82 76.48 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -172.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 62' ' ' GLU . 62.5 t -59.32 -50.45 79.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.025 0.44 . . . . 0.0 110.214 176.4 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 66.8 mt -69.94 -43.19 79.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.773 178.702 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.437 ' O ' ' HG2' ' A' ' 72' ' ' GLU . 16.9 t70 -57.07 -45.66 83.09 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 123.348 0.659 . . . . 0.0 111.805 -174.798 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -59.27 -46.08 89.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.318 0.58 . . . . 0.0 110.514 -179.518 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.586 HG23 ' ND1' ' A' ' 107' ' ' HIS . 65.4 mt -71.76 -37.8 63.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.909 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.708 HD21 ' HG3' ' A' ' 52' ' ' LYS . 5.2 tt -56.8 -51.87 67.28 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.447 178.098 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 68' ' ' ASP . 4.8 mm-40 -69.25 -35.06 75.71 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.915 -178.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.461 ' HB3' ' CE1' ' A' ' 107' ' ' HIS . 0.6 OUTLIER -61.41 -40.28 93.81 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.762 176.096 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.4 ' HB3' HG22 ' A' ' 48' ' ' VAL . 3.0 tp10 -67.66 -41.42 83.81 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.554 -175.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.629 ' HA ' ' OE1' ' A' ' 75' ' ' GLU . 1.3 mm-40 -65.13 -34.68 78.98 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.159 0.505 . . . . 0.0 110.173 172.81 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.436 ' HB3' ' O ' ' A' ' 73' ' ' ASP . 59.5 tttm -61.89 -37.11 83.35 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.63 176.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.504 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 62.9 m170 -61.91 -44.65 96.35 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 121.442 0.639 . . . . 0.0 110.333 177.412 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.587 HG23 HG22 ' A' ' 41' ' ' VAL . 94.3 mt -63.9 -41.99 94.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.043 -0.98 . . . . 0.0 110.988 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -60.71 -37.57 82.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.868 0.366 . . . . 0.0 110.294 173.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.488 ' HB3' ' O ' ' A' ' 77' ' ' HIS . 29.6 t-105 -61.59 -56.98 14.07 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.91 178.214 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 25.1 m-70 -61.16 -40.24 93.11 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -178.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp -65.41 -40.3 93.21 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.757 0.313 . . . . 0.0 111.029 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.17 -31.98 68.34 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.879 0.371 . . . . 0.0 110.876 178.711 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.76 -12.67 60.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.767 -179.107 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 71.1 m -79.72 40.55 0.46 Allowed 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 121.064 0.459 . . . . 0.0 111.751 -177.377 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.491 ' HB3' ' OE1' ' A' ' 87' ' ' GLN . 28.1 mmtp -77.03 -65.98 0.88 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.445 176.769 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.491 ' OE1' ' HB3' ' A' ' 86' ' ' LYS . 1.8 mp0 -99.99 -46.21 5.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.363 0.602 . . . . 0.0 110.248 177.598 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.404 ' HA3' ' HB3' ' A' ' 30' ' ' GLU . . . 124.94 -56.36 0.7 Allowed Glycine 0 N--CA 1.447 -0.615 0 N-CA-C 110.292 -1.123 . . . . 0.0 110.292 -173.709 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.559 ' HB2' ' HB2' ' A' ' 93' ' ' PHE . 18.5 m120 69.16 -176.85 0.21 Allowed 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 123.101 0.56 . . . . 0.0 111.871 173.28 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -144.8 -74.24 0.24 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.304 177.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -69.38 -43.94 72.49 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 120.672 0.272 . . . . 0.0 110.774 -178.646 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.576 ' O ' ' HG ' ' A' ' 96' ' ' LEU . 31.6 mm-40 -63.32 -44.26 95.47 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 177.347 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.559 ' HB2' ' HB2' ' A' ' 89' ' ' ASN . 68.2 t80 -61.72 -44.82 96.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.867 -178.412 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.23 -41.63 79.88 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.092 178.671 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 17.7 m -63.82 -38.99 93.16 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.664 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.576 ' HG ' ' O ' ' A' ' 92' ' ' GLN . 68.3 mt -72.0 -37.26 69.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.027 -178.58 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 93' ' ' PHE . 62.3 t -67.63 -35.89 74.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.43 177.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -59.32 -34.76 72.72 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.674 178.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -63.47 -40.89 98.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.03 0.443 . . . . 0.0 110.084 177.003 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.504 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 5.4 t-160 -61.98 -41.81 98.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.791 178.631 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.538 HD21 ' HB3' ' A' ' 18' ' ' LEU . 3.8 mm? -59.74 -48.22 82.53 Favored 'General case' 0 C--O 1.231 0.094 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.288 178.614 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -61.4 -40.08 93.08 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 121.059 0.457 . . . . 0.0 110.833 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -62.89 -49.13 76.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.29 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -66.99 -25.05 66.12 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.381 -176.037 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.492 ' HG3' ' O ' ' A' ' 101' ' ' LEU . 80.7 mt-30 -61.49 -45.72 93.05 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 176.749 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 25.5 ttt85 -68.56 -31.71 71.12 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.206 176.504 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.688 ' O ' HG13 ' A' ' 111' ' ' ILE . 7.3 m170 -57.51 -50.86 71.69 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.198 179.189 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 70.8 t -58.97 -37.89 70.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.802 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.417 ' HG3' ' O ' ' A' ' 105' ' ' GLN . 46.5 mt-10 -63.48 -48.31 78.17 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.949 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.563 ' HB2' HD11 ' A' ' 70' ' ' ILE . 25.5 mt-10 -71.6 -29.57 64.84 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.847 -176.126 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.688 HG13 ' O ' ' A' ' 107' ' ' HIS . 73.2 mt -64.66 -77.6 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-O 120.694 0.283 . . . . 0.0 111.587 -179.711 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.616 ' O ' ' HG2' ' A' ' 113' ' ' LYS . 9.3 pt-20 -82.08 -21.35 36.87 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -171.357 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.616 ' HG2' ' O ' ' A' ' 112' ' ' GLU . 18.2 ptmt 62.84 -42.54 0.19 Allowed 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 125.357 1.463 . . . . 0.0 113.95 174.732 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 48.1 tttp -87.03 23.57 1.74 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.6 0.714 . . . . 0.0 110.441 -175.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.455 ' HB2' ' HG3' ' A' ' 112' ' ' GLU . 23.0 t-20 . . . . . 0 C--O 1.248 1.024 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.746 178.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.464 ' HG2' ' N ' ' A' ' 2' ' ' ASP . 58.6 ttm . . . . . 0 N--CA 1.478 0.975 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.464 ' N ' ' HG2' ' A' ' 1' ' ' MET . 1.3 m-20 -52.6 118.15 3.41 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 123.115 0.566 . . . . 0.0 111.536 -177.767 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.495 ' OE2' ' HG3' ' A' ' 5' ' ' ARG . 2.4 tm-20 -166.07 -70.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 -178.464 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.7 mm? 59.45 56.88 3.54 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 113.453 0.908 . . . . 0.0 113.453 169.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.495 ' HG3' ' OE2' ' A' ' 3' ' ' GLU . 51.7 mtt180 -57.18 -34.31 68.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.26 0.552 . . . . 0.0 110.278 169.36 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -57.39 -43.46 83.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.202 -178.154 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 76.3 mt -68.73 -39.9 80.15 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.966 0.412 . . . . 0.0 110.762 -179.343 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.416 ' O ' ' HG2' ' A' ' 12' ' ' GLN . 66.6 mt -60.0 -46.7 88.61 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.57 -179.118 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.475 ' HG2' ' OE1' ' A' ' 13' ' ' GLN . 18.7 ttpp -59.43 -37.1 77.22 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.186 -176.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.56 -46.96 74.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.289 -177.438 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.427 ' O ' HG12 ' A' ' 15' ' ' ILE . 6.1 mm-40 -68.71 -38.0 79.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.539 -0.301 . . . . 0.0 110.4 179.265 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.416 ' HG2' ' O ' ' A' ' 8' ' ' LEU . 85.5 mm-40 -62.91 -36.84 84.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.812 177.344 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.475 ' OE1' ' HG2' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -65.51 -44.68 86.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.591 176.502 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.536 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -59.17 -46.6 93.55 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.547 -0.835 . . . . 0.0 111.618 176.841 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.427 HG12 ' O ' ' A' ' 11' ' ' GLU . 41.1 mm -58.62 -44.8 90.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.752 0.31 . . . . 0.0 110.375 176.655 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.9 mmmt -56.09 -44.47 79.06 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.467 -178.714 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.537 ' O ' HG23 ' A' ' 21' ' ' VAL . 56.8 mt -69.33 -42.82 81.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.548 178.299 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.572 ' HB3' HD21 ' A' ' 101' ' ' LEU . 94.7 mt -57.52 -37.1 72.48 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.312 -179.545 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.402 ' HG2' ' O ' ' A' ' 15' ' ' ILE . 55.1 mmtt -56.69 -45.56 81.72 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.113 0.482 . . . . 0.0 110.849 177.744 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -74.33 -34.2 63.37 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.053 -176.322 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.617 HG21 HD11 ' A' ' 40' ' ' ILE . 86.2 t -59.98 -41.07 84.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.854 178.725 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 97.7 mt -56.99 -35.34 69.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.118 0.485 . . . . 0.0 110.633 178.038 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -72.16 -46.8 54.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.756 178.477 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.458 ' HD3' ' HA ' ' A' ' 24' ' ' LYS . 70.0 mmtt -73.15 -26.98 61.41 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.928 -175.242 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.87 -35.65 78.9 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.273 0.559 . . . . 0.0 109.731 173.66 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -72.52 -20.42 61.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.396 179.494 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -84.97 -22.03 29.32 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.753 175.66 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 70.06 38.96 73.92 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.953 -0.642 . . . . 0.0 111.903 -177.001 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -102.52 107.13 17.98 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.777 0.322 . . . . 0.0 110.51 -177.61 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -69.04 -32.05 71.26 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.864 -177.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -70.27 -45.94 65.36 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-O 120.864 0.364 . . . . 0.0 110.406 -177.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -64.73 -44.13 91.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.345 176.023 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 28.8 mt -59.86 -41.35 91.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.44 178.512 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.78 -45.27 90.47 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.746 0.308 . . . . 0.0 110.981 179.596 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.9 ttm-85 -62.84 -48.69 77.99 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.294 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.596 ' O ' HG13 ' A' ' 40' ' ' ILE . 91.1 mt -64.19 -45.67 87.33 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.018 -179.107 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.442 ' HA ' HD12 ' A' ' 40' ' ' ILE . 64.0 t30 -58.04 -44.3 87.3 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.172 0.51 . . . . 0.0 110.354 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.456 ' O ' ' HG2' ' A' ' 42' ' ' LYS . 1.1 mm-40 -61.46 -44.01 97.86 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.176 178.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -71.49 -29.38 64.75 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.82 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.617 HD11 HG21 ' A' ' 21' ' ' VAL . 87.0 mt -56.73 -49.07 79.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 172.413 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.3 t -55.57 -40.8 61.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.364 177.073 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.456 ' HG2' ' O ' ' A' ' 38' ' ' GLN . 33.6 mmtp -58.02 -47.24 83.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.498 177.625 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.88 -47.64 61.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.581 -176.258 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.494 ' O ' HG23 ' A' ' 48' ' ' VAL . 6.1 mm-40 -60.5 -46.3 90.63 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.442 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.607 ' HE2' HG21 ' A' ' 78' ' ' ILE . 69.6 mmtt -62.36 -42.84 99.72 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 120.782 0.325 . . . . 0.0 111.31 179.023 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 21.4 tm0? -63.89 -43.48 95.86 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 -179.271 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.64 -46.76 93.46 Favored Glycine 0 N--CA 1.447 -0.584 0 CA-C-N 115.663 -0.699 . . . . 0.0 112.069 177.087 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 44' ' ' GLU . 65.6 t -54.31 -40.49 48.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.751 0.31 . . . . 0.0 111.019 178.035 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.45 ' NZ ' ' HB2' ' A' ' 49' ' ' LYS . 0.1 OUTLIER -64.87 -42.28 94.97 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.581 -179.183 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 23.9 t -69.22 -37.01 75.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.082 0.468 . . . . 0.0 110.182 177.531 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.554 ' HB3' ' HG ' ' A' ' 71' ' ' LEU . 18.1 m-85 -64.72 -39.4 93.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.908 176.508 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.747 ' HD3' HD11 ' A' ' 71' ' ' LEU . 65.0 mmtt -58.19 -32.98 68.77 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 121.036 0.446 . . . . 0.0 110.533 176.064 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -67.51 -50.64 57.9 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.688 177.61 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.47 -46.97 44.98 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -176.428 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.42 -40.61 97.64 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.821 0.344 . . . . 0.0 111.882 -173.168 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -77.37 -0.85 27.24 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.78 0.324 . . . . 0.0 110.981 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -130.49 25.64 5.1 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.703 -178.403 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.416 ' HB3' ' HG3' ' A' ' 64' ' ' ARG . . . -74.72 156.86 36.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.306 -177.088 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 20.4 ttm-85 -90.47 -38.8 13.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.545 -173.517 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -122.89 135.47 25.84 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.204 -176.355 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -53.8 -47.7 25.74 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 123.059 2.506 . . . . 0.0 112.823 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -59.89 -42.62 94.2 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.842 0.353 . . . . 0.0 111.016 179.44 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 45.1 mtpt -72.21 -35.23 68.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.173 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.416 ' HG3' ' HB3' ' A' ' 58' ' ' ALA . 2.5 ttp180 -62.37 -41.62 98.77 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.914 177.396 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.52 -34.02 72.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.463 -178.528 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 57.6 t -64.27 -52.22 58.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 121.064 0.459 . . . . 0.0 110.214 176.408 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 57.8 mt -65.72 -39.09 83.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.674 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -60.19 -49.0 79.38 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.951 -177.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.483 ' O ' ' HB2' ' A' ' 73' ' ' ASP . 44.4 mttm -63.35 -41.09 98.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.609 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.472 HG23 ' ND1' ' A' ' 107' ' ' HIS . 38.5 mt -66.05 -38.68 82.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.931 0.396 . . . . 0.0 110.751 178.791 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.747 HD11 ' HD3' ' A' ' 52' ' ' LYS . 4.5 tt -60.5 -52.03 66.91 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.103 179.569 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.499 ' OE1' HD22 ' A' ' 71' ' ' LEU . 5.0 mm-40 -68.83 -33.13 73.32 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.329 -178.356 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.884 ' HA ' ' HE3' ' A' ' 76' ' ' LYS . 0.8 OUTLIER -60.74 -40.86 93.97 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.451 178.67 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.488 ' O ' HG13 ' A' ' 78' ' ' ILE . 1.2 tp10 -60.41 -36.92 79.26 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.68 -175.247 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.401 ' HA ' HD12 ' A' ' 78' ' ' ILE . 65.6 mm-40 -66.53 -39.46 88.63 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.689 0.281 . . . . 0.0 110.944 174.304 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.884 ' HE3' ' HA ' ' A' ' 73' ' ' ASP . 5.2 mtmp? -62.54 -32.48 73.44 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.909 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 48.5 m170 -64.16 -47.68 78.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.582 0.706 . . . . 0.0 109.844 174.321 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.607 HG21 ' HE2' ' A' ' 45' ' ' LYS . 73.3 mt -57.75 -36.96 57.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 114.575 -1.193 . . . . 0.0 111.194 -177.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -54.19 -38.61 65.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.802 178.455 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.595 ' HZ2' ' HA ' ' A' ' 93' ' ' PHE . 23.0 t-105 -71.22 -53.89 12.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.786 0.327 . . . . 0.0 110.713 177.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 74.6 m-70 -59.98 -35.24 74.58 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.733 -176.515 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 58.3 tttm -72.72 -36.08 67.7 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.877 0.37 . . . . 0.0 110.46 177.55 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.06 -32.76 73.33 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.935 0.398 . . . . 0.0 110.892 179.561 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.74 -18.78 65.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.142 177.67 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 19.8 m -79.76 -13.29 59.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.151 0.501 . . . . 0.0 110.393 178.328 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 57.3 tptt -81.04 -54.19 5.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.738 177.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -176.15 166.25 2.89 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.48 176.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 151.53 -160.41 28.73 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.92 -0.657 . . . . 0.0 111.503 179.599 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -141.27 154.19 45.61 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 179.004 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -58.97 -34.86 72.29 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.133 -0.485 . . . . 0.0 112.289 -176.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -63.94 -50.0 70.36 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 121.091 -0.244 . . . . 0.0 111.526 -175.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -68.65 -35.07 76.77 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.178 0.513 . . . . 0.0 110.177 -179.399 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.595 ' HA ' ' HZ2' ' A' ' 80' ' ' TRP . 88.4 t80 -61.56 -52.29 65.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.342 178.312 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.81 -47.26 85.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.753 -177.256 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 30.9 m -60.38 -42.04 95.03 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.26 -178.716 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 9.5 mp -73.23 -33.06 65.11 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.771 0.285 . . . . 0.0 111.771 179.39 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 93' ' ' PHE . 58.5 t -64.68 -36.98 78.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.002 0.429 . . . . 0.0 110.135 175.648 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 23.9 tm0? -60.18 -33.46 72.25 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.171 176.299 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -68.87 -40.39 79.3 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 120.904 0.383 . . . . 0.0 110.462 174.481 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 7.9 t-160 -57.82 -37.76 74.36 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.585 176.685 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.572 HD21 ' HB3' ' A' ' 18' ' ' LEU . 3.3 mm? -60.08 -48.76 80.37 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.328 176.752 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.433 ' O ' ' HB2' ' A' ' 105' ' ' GLN . 54.9 mt-30 -64.83 -35.37 80.89 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 121.115 0.484 . . . . 0.0 110.817 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -66.28 -50.2 64.5 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.517 -179.419 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -69.51 -19.4 63.73 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.961 -0.296 . . . . 0.0 110.298 -177.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.55 ' HG3' ' O ' ' A' ' 101' ' ' LEU . 74.2 mt-30 -60.44 -46.97 88.12 Favored 'General case' 0 CA--C 1.517 -0.307 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 172.221 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 3.7 mmt180 -68.68 -32.18 71.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.497 177.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.623 ' O ' HG13 ' A' ' 111' ' ' ILE . 12.0 m170 -58.63 -50.9 72.16 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.998 0.428 . . . . 0.0 109.9 175.629 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 77.6 t -68.22 -43.55 84.7 Favored 'Isoleucine or valine' 0 C--O 1.236 0.382 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.717 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.461 ' HG2' ' O ' ' A' ' 105' ' ' GLN . 27.8 mm-40 -59.08 -35.69 73.81 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.741 0.305 . . . . 0.0 111.437 -178.491 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.22 -29.87 66.81 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.814 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.623 HG13 ' O ' ' A' ' 107' ' ' HIS . 18.3 mt -87.98 -73.1 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 N-CA-C 112.038 0.384 . . . . 0.0 112.038 -175.505 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.445 ' O ' ' HB2' ' A' ' 113' ' ' LYS . 43.9 mt-10 -64.28 -87.73 0.01 OUTLIER 'General case' 0 C--O 1.234 0.248 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 -167.48 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.445 ' HB2' ' O ' ' A' ' 112' ' ' GLU . 8.8 mtmp? 71.17 -54.79 0.66 Allowed 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 122.968 0.507 . . . . 0.0 111.899 -177.765 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -81.81 -2.57 51.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.014 0.435 . . . . 0.0 111.195 -177.49 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 11.2 m120 . . . . . 0 C--O 1.246 0.887 0 CA-C-O 118.36 -0.828 . . . . 0.0 109.965 -178.598 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.6 mtm . . . . . 0 N--CA 1.479 0.992 0 N-CA-C 110.465 -0.198 . . . . 0.0 110.465 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.2 t0 68.29 -171.97 0.19 Allowed 'General case' 0 C--O 1.233 0.23 0 O-C-N 123.931 0.77 . . . . 0.0 110.223 -179.01 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -133.77 -59.25 0.85 Allowed 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 -170.586 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 mm? 58.39 75.07 0.4 Allowed 'General case' 0 N--CA 1.468 0.475 0 CA-C-O 121.167 0.508 . . . . 0.0 111.066 -177.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -68.45 -49.8 57.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.247 -174.108 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.513 ' HA ' ' HG2' ' A' ' 9' ' ' LYS . 14.5 pt-20 -69.93 -32.22 70.38 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -171.215 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 63.2 mt -56.7 -37.41 70.86 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 121.163 -0.215 . . . . 0.0 111.488 -177.513 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 45.1 mt -65.6 -48.62 71.65 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.853 0.359 . . . . 0.0 111.005 177.574 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.513 ' HG2' ' HA ' ' A' ' 6' ' ' GLU . 22.4 pttp -71.5 -32.72 68.53 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.691 -0.403 . . . . 0.0 111.497 -177.022 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.61 -47.3 70.06 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.564 0.209 . . . . 0.0 111.564 -179.016 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -66.81 -50.06 63.81 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.063 0.458 . . . . 0.0 110.041 -179.615 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -61.46 -31.69 71.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.95 178.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.464 ' O ' HG13 ' A' ' 17' ' ' ILE . 63.1 tt0 -59.12 -46.17 89.02 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 177.664 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.504 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -60.57 -45.56 96.08 Favored Glycine 0 N--CA 1.448 -0.511 0 N-CA-C 111.321 -0.712 . . . . 0.0 111.321 177.002 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.573 ' HA ' HD12 ' A' ' 18' ' ' LEU . 71.8 mt -59.19 -42.46 86.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.791 0.329 . . . . 0.0 111.014 177.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -62.36 -40.93 98.04 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.978 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.497 HD13 ' HB3' ' A' ' 39' ' ' GLU . 62.0 mt -69.37 -36.4 71.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.392 177.583 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.573 HD12 ' HA ' ' A' ' 15' ' ' ILE . 98.4 mt -57.8 -37.33 73.55 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.53 175.73 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -58.74 -38.04 77.51 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.072 177.491 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -67.34 -40.18 85.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.241 177.673 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.499 HG21 HD11 ' A' ' 40' ' ' ILE . 58.0 t -61.96 -41.27 90.29 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.359 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.86 -179.644 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 96.3 mt -55.75 -41.32 73.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.778 0.323 . . . . 0.0 111.584 -178.164 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -73.81 -39.68 63.9 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.914 0.388 . . . . 0.0 111.719 179.644 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.661 ' HG2' ' HG2' ' A' ' 32' ' ' GLU . 1.5 mptm? -83.67 -15.87 47.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.977 -175.461 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.51 ' HB1' ' HB2' ' A' ' 94' ' ' ALA . . . -56.97 -37.08 71.08 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.629 0.252 . . . . 0.0 111.467 178.83 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -72.5 -19.97 61.44 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.986 0.422 . . . . 0.0 110.564 178.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -78.36 -53.65 7.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.975 178.337 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.0 18.7 64.55 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.959 -0.639 . . . . 0.0 112.91 177.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -71.35 125.06 25.99 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.894 0.378 . . . . 0.0 110.359 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.75 ' HG2' ' HG3' ' A' ' 87' ' ' GLN . 31.1 mt-10 -69.2 -38.73 78.77 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.674 -0.693 . . . . 0.0 111.879 -173.433 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -69.63 -43.29 72.98 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.977 0.417 . . . . 0.0 110.671 -178.24 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.661 ' HG2' ' HG2' ' A' ' 24' ' ' LYS . 6.5 tp10 -60.58 -49.23 78.35 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.002 173.79 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 33' ' ' LEU . 18.9 mt -61.02 -39.52 90.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.612 -179.513 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.9 -46.11 90.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.558 0.218 . . . . 0.0 110.926 179.369 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 36.0 ttt180 -63.18 -49.95 72.28 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-O 120.892 0.377 . . . . 0.0 111.236 178.025 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.489 ' O ' HG13 ' A' ' 40' ' ' ILE . 93.8 mt -62.77 -45.78 91.09 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.778 -176.237 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.474 ' O ' HG23 ' A' ' 41' ' ' VAL . 66.8 t30 -59.57 -47.68 84.61 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.14 -179.605 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.41 -45.74 93.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.753 -179.773 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.497 ' HB3' HD13 ' A' ' 17' ' ' ILE . 30.5 mt-10 -65.44 -36.25 83.35 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 121.114 -0.235 . . . . 0.0 111.414 -177.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.499 HD11 HG21 ' A' ' 21' ' ' VAL . 97.0 mt -60.61 -49.26 85.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 175.814 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 37' ' ' ASN . 90.1 t -55.45 -42.02 65.7 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.23 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 26.6 mtmm -62.69 -41.8 99.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.625 0.25 . . . . 0.0 110.999 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.14 -47.14 68.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.554 -178.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.453 ' O ' HG23 ' A' ' 48' ' ' VAL . 7.9 mm-40 -58.2 -46.76 85.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.28 178.51 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.539 ' HE2' HG21 ' A' ' 78' ' ' ILE . 62.5 mmtt -62.49 -39.98 95.22 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.952 -178.434 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.424 ' O ' HG23 ' A' ' 50' ' ' VAL . 58.3 tp60 -60.82 -44.37 97.01 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.881 -0.415 . . . . 0.0 109.881 179.609 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.7 -47.89 85.61 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.583 -0.818 . . . . 0.0 111.908 177.252 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.501 HG13 ' HG ' ' A' ' 71' ' ' LEU . 82.9 t -56.97 -44.01 81.79 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 CA-C-O 120.748 0.308 . . . . 0.0 110.983 179.062 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.7 tmtt? -57.73 -46.0 85.03 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.539 -178.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 46' ' ' GLN . 43.4 t -69.13 -42.91 81.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.743 179.754 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -59.04 -47.4 85.36 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.813 178.291 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.449 ' HB2' HD11 ' A' ' 71' ' ' LEU . 64.2 tttm -63.37 -44.02 95.98 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.917 0.389 . . . . 0.0 110.608 179.682 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -58.73 -47.35 84.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.902 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.01 -39.71 69.02 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.58 -179.342 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.35 -45.0 95.03 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -176.368 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -85.9 8.24 21.04 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.863 0.363 . . . . 0.0 111.132 -177.586 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -133.88 18.94 3.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.622 0.725 . . . . 0.0 109.355 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -84.99 172.38 11.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.428 -0.806 . . . . 0.0 111.234 -175.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 61.2 mtp180 -119.74 16.15 12.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.7 -178.508 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.465 ' HA ' ' HD3' ' A' ' 61' ' ' PRO . 28.5 t-20 -151.77 121.82 3.56 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.702 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' A' ' 60' ' ' ASN . 25.3 Cg_exo -63.57 -41.94 23.26 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 123.153 2.569 . . . . 0.0 113.205 -177.029 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.426 ' O ' ' HB3' ' A' ' 65' ' ' GLN . 6.7 tp10 -67.18 -40.51 86.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.079 0.466 . . . . 0.0 110.501 -174.811 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.482 ' HE2' ' HA ' ' A' ' 63' ' ' LYS . 0.1 OUTLIER -65.69 -38.87 90.45 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.755 177.599 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 19.0 ttp85 -61.34 -41.44 97.06 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.171 177.674 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.426 ' HB3' ' O ' ' A' ' 62' ' ' GLU . 0.7 OUTLIER -55.45 -43.65 75.62 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 123.732 0.813 . . . . 0.0 111.321 178.805 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 46.6 t -67.11 -46.56 84.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 120.86 0.362 . . . . 0.0 110.568 178.467 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 80.9 mt -61.54 -38.15 79.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.534 178.327 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -58.35 -46.64 85.88 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.495 178.333 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -66.02 -37.86 86.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.946 177.408 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.443 HD11 ' HG2' ' A' ' 110' ' ' GLU . 77.2 mt -61.81 -42.6 95.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 175.077 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.501 ' HG ' HG13 ' A' ' 48' ' ' VAL . 5.9 tt -63.35 -46.02 88.48 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.684 176.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -58.9 -41.76 88.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.376 179.421 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.516 ' HB3' ' CE1' ' A' ' 107' ' ' HIS . 43.1 t0 -68.98 -44.71 72.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.326 0.584 . . . . 0.0 110.438 178.273 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.498 ' HB3' HG22 ' A' ' 48' ' ' VAL . 2.5 tp10 -64.01 -39.88 95.09 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.346 -176.413 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.644 ' HA ' ' OE1' ' A' ' 75' ' ' GLU . 1.3 mm-40 -66.01 -35.1 79.66 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-O 120.916 0.388 . . . . 0.0 110.295 173.02 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.473 ' HB3' ' O ' ' A' ' 73' ' ' ASP . 88.1 tttt -60.96 -36.56 79.72 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.587 179.333 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.471 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 38.7 m170 -66.38 -48.53 69.84 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.632 0.729 . . . . 0.0 109.871 176.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.539 HG21 ' HE2' ' A' ' 45' ' ' LYS . 70.9 mt -58.86 -35.79 58.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 114.619 -1.173 . . . . 0.0 110.91 -178.445 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.522 ' HG3' ' O ' ' A' ' 75' ' ' GLU . 43.6 mt-10 -55.16 -41.04 71.33 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.551 0.215 . . . . 0.0 111.018 177.646 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 31.0 t-105 -68.24 -50.33 54.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.995 0.426 . . . . 0.0 110.544 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -63.79 -34.73 78.56 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.203 -179.32 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -72.4 -36.02 68.55 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.653 179.586 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.81 -29.86 68.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.718 178.33 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.09 -31.39 64.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.182 175.385 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 26.1 t 71.54 -62.21 0.46 Allowed 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.194 176.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -137.16 -60.2 0.68 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.928 0.394 . . . . 0.0 110.097 178.407 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.75 ' HG3' ' HG2' ' A' ' 30' ' ' GLU . 0.6 OUTLIER -149.77 167.05 27.6 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.058 -178.54 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -161.72 -130.88 1.16 Allowed Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.794 -0.717 . . . . 0.0 111.497 178.458 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -77.76 160.66 28.25 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 177.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -91.11 -78.05 0.4 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.751 0.649 . . . . 0.0 112.751 -170.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.04 -36.22 83.29 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 112.454 0.539 . . . . 0.0 112.454 -171.543 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -58.87 -49.79 76.43 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.893 0.377 . . . . 0.0 110.411 175.137 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.545 ' O ' HG23 ' A' ' 97' ' ' VAL . 81.2 t80 -62.24 -45.33 93.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.381 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.51 ' HB2' ' HB1' ' A' ' 25' ' ' ALA . . . -57.32 -43.0 82.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.212 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 42.8 m -59.7 -41.81 91.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.964 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 9.6 mp -72.32 -32.35 66.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.939 179.142 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 93' ' ' PHE . 96.4 t -62.41 -40.77 89.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.704 0.287 . . . . 0.0 110.233 175.353 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.455 ' HG3' ' O ' ' A' ' 94' ' ' ALA . 78.1 mt-30 -57.72 -35.32 70.5 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.829 0.347 . . . . 0.0 110.42 176.777 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 32.6 mm-40 -66.59 -40.04 88.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.09 177.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.471 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 4.9 t-160 -59.32 -41.03 88.14 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 177.579 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.536 HD21 ' HB3' ' A' ' 18' ' ' LEU . 3.6 mm? -59.29 -47.7 84.38 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.573 177.217 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 17.0 mm-40 -68.13 -37.92 81.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.351 0.596 . . . . 0.0 110.744 179.225 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -64.78 -49.31 71.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.054 -0.975 . . . . 0.0 112.287 -173.62 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.462 ' O ' HG23 ' A' ' 108' ' ' VAL . 17.0 mm-40 -62.71 -23.03 66.94 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -174.15 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.472 ' O ' ' HG2' ' A' ' 109' ' ' GLU . 77.0 mt-30 -60.71 -33.13 72.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.87 0.367 . . . . 0.0 110.328 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 10.2 mtp180 -64.25 -34.02 77.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.113 177.302 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.516 ' CE1' ' HB3' ' A' ' 73' ' ' ASP . 64.5 m170 -74.55 -40.77 61.48 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.963 -177.56 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.634 HG11 ' HA ' ' A' ' 114' ' ' LYS . 3.7 t -65.61 -36.14 76.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.255 178.488 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.472 ' HG2' ' O ' ' A' ' 105' ' ' GLN . 62.2 mm-40 -58.71 -37.65 76.58 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.897 177.452 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.443 ' HG2' HD11 ' A' ' 70' ' ' ILE . 15.7 tp10 -61.49 -39.59 91.5 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.718 0.294 . . . . 0.0 110.264 177.626 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.477 HG22 ' HG3' ' A' ' 112' ' ' GLU . 54.0 mt -66.52 -77.54 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.269 -0.423 . . . . 0.0 109.959 177.286 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.477 ' HG3' HG22 ' A' ' 111' ' ' ILE . 41.2 mt-10 -142.12 -81.34 0.22 Allowed 'General case' 0 N--CA 1.448 -0.575 0 CA-C-O 121.619 0.723 . . . . 0.0 110.199 178.313 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.88 154.87 40.97 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 178.646 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.634 ' HA ' HG11 ' A' ' 108' ' ' VAL . 53.8 mtmt -51.19 -67.12 0.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 O-C-N 123.605 0.566 . . . . 0.0 110.496 176.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.532 ' HB2' ' O ' ' A' ' 114' ' ' LYS . 42.0 t-20 . . . . . 0 C--O 1.246 0.895 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 173.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.478 0.975 0 CA-C-O 120.696 0.284 . . . . 0.0 110.541 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -84.02 -46.21 12.27 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 175.584 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 54.46 93.57 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 114.378 -1.283 . . . . 0.0 113.446 169.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.9 mt -105.71 -17.01 14.52 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.466 176.304 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.564 ' HA ' HD12 ' A' ' 8' ' ' LEU . 71.6 mtp85 -69.95 -44.94 68.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.798 -176.833 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.85 -35.45 74.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.574 0.702 . . . . 0.0 109.818 176.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 42.8 tp -72.27 -31.34 65.67 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.211 -178.19 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.564 HD12 ' HA ' ' A' ' 5' ' ' ARG . 42.4 mt -59.7 -28.16 67.07 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -178.448 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -57.09 -33.37 67.22 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.478 -176.504 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.95 -47.17 87.65 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 120.745 0.307 . . . . 0.0 110.959 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.426 ' O ' HG13 ' A' ' 15' ' ' ILE . 6.2 mm-40 -63.04 -42.66 99.8 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.333 177.803 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 -62.54 -40.3 96.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.179 -178.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -65.67 -44.03 87.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.454 178.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.529 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -58.5 -46.28 93.36 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.771 -0.728 . . . . 0.0 111.712 176.64 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.542 ' HA ' HD12 ' A' ' 18' ' ' LEU . 80.5 mt -61.75 -39.43 83.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.564 0.221 . . . . 0.0 111.121 178.22 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -58.16 -47.01 84.69 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-O 120.988 0.423 . . . . 0.0 110.691 179.37 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.402 HD13 ' HB3' ' A' ' 39' ' ' GLU . 65.0 mt -65.56 -38.18 81.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.831 179.251 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.645 ' HB3' HD21 ' A' ' 101' ' ' LEU . 96.6 mt -58.27 -37.09 74.28 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.1 177.718 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.455 ' HG3' ' O ' ' A' ' 15' ' ' ILE . 65.2 mttm -57.55 -45.19 85.41 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.882 0.373 . . . . 0.0 110.832 178.798 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -67.54 -34.88 77.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.814 -177.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.771 HG21 HD11 ' A' ' 40' ' ' ILE . 86.4 t -63.34 -41.34 92.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.892 179.567 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 92.4 mt -58.61 -35.74 72.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.763 178.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -69.96 -47.92 60.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.407 179.016 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.425 ' HE2' ' HA ' ' A' ' 24' ' ' LYS . 0.2 OUTLIER -68.5 -26.64 65.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.267 -177.28 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.91 -46.29 88.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.014 178.556 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -71.79 -34.08 69.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.567 178.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -60.06 -36.46 77.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.442 173.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 81.59 44.97 7.56 Favored Glycine 0 N--CA 1.448 -0.536 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.671 176.11 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -116.35 111.72 20.48 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.103 -0.332 . . . . 0.0 110.103 178.132 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -69.81 -28.99 66.17 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.206 -176.58 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -70.0 -47.93 60.19 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.749 -177.42 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -64.19 -42.23 96.75 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 175.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 41.5 mt -58.44 -44.28 89.12 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.101 177.485 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.9 -43.54 92.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.672 0.272 . . . . 0.0 111.023 179.024 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.417 ' O ' ' HG2' ' A' ' 39' ' ' GLU . 6.0 ttp180 -64.34 -46.96 81.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.131 0.491 . . . . 0.0 110.29 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.412 ' O ' HG13 ' A' ' 40' ' ' ILE . 89.5 mt -65.2 -34.61 78.77 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.278 178.219 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.43 ' O ' HG23 ' A' ' 41' ' ' VAL . 67.0 t30 -61.06 -41.52 96.77 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.273 0.558 . . . . 0.0 109.629 176.116 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -59.24 -41.1 87.92 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.048 175.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.417 ' HG2' ' O ' ' A' ' 35' ' ' ARG . 13.9 mm-40 -63.87 -39.54 94.45 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.73 177.667 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.771 HD11 HG21 ' A' ' 21' ' ' VAL . 79.8 mt -62.77 -49.69 82.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.702 178.525 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 37' ' ' ASN . 85.2 t -56.87 -50.27 75.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.076 -177.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -63.15 -36.48 83.76 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 120.637 0.256 . . . . 0.0 111.093 -178.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.04 -47.42 71.43 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.814 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.499 ' O ' HG23 ' A' ' 48' ' ' VAL . 7.1 mm-40 -61.49 -45.36 94.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.327 177.416 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -59.5 -39.79 84.94 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 120.736 0.303 . . . . 0.0 111.135 178.41 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.45 -44.85 95.4 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 179.125 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.448 ' O ' ' HD2' ' A' ' 51' ' ' TYR . . . -64.78 -46.45 89.65 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.154 176.398 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 44' ' ' GLU . 76.6 t -53.91 -40.82 46.39 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.086 0 C-N-CA 122.378 0.271 . . . . 0.0 110.964 178.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -55.68 -49.91 71.67 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.898 178.129 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.7 t -69.72 -46.27 75.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.939 -178.279 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.455 ' HB3' ' HG ' ' A' ' 71' ' ' LEU . 38.1 m-85 -59.17 -46.33 88.68 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.109 179.197 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.58 ' HA ' HD11 ' A' ' 71' ' ' LEU . 39.9 ttmt -60.93 -43.3 98.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.962 0.41 . . . . 0.0 110.992 -178.624 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -67.52 -38.39 84.18 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.386 -178.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.76 -35.26 70.04 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.572 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.9 -47.6 82.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.004 0.431 . . . . 0.0 111.938 -177.048 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -86.84 17.68 3.91 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.989 -177.043 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.7 ttmm -143.95 13.73 1.68 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.181 -178.619 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.55 162.79 26.84 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.974 -172.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -70.5 -77.23 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.423 179.069 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -104.92 153.8 39.12 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.972 -175.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo -57.65 -28.21 80.58 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 123.255 2.636 . . . . 0.0 113.009 -179.431 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -61.45 -39.04 89.39 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.156 0.503 . . . . 0.0 110.613 178.223 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -67.36 -42.5 83.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.183 178.229 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.469 ' HD2' ' HB2' ' A' ' 68' ' ' ASP . 2.8 tmm_? -66.18 -37.07 84.72 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.021 -179.044 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -56.71 -46.15 81.44 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-O 120.966 0.412 . . . . 0.0 110.568 176.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.2 t -65.76 -49.77 75.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.214 179.107 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.416 HG23 ' HD1' ' A' ' 51' ' ' TYR . 78.3 mt -60.84 -45.99 97.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.351 -179.254 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.469 ' HB2' ' HD2' ' A' ' 64' ' ' ARG . 19.4 t70 -63.31 -47.49 82.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.918 -175.341 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.431 ' O ' ' HB2' ' A' ' 73' ' ' ASP . 23.9 pttm -70.34 -32.6 70.38 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.297 -0.561 . . . . 0.0 110.707 -177.816 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.5 ' O ' ' HG2' ' A' ' 74' ' ' GLU . 28.9 mt -70.62 -39.78 76.34 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.352 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 173.806 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.58 HD11 ' HA ' ' A' ' 52' ' ' LYS . 6.9 mt -56.77 -49.68 74.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.711 173.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -63.13 -35.57 80.73 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.316 -0.857 . . . . 0.0 109.503 177.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.532 ' O ' ' HB3' ' A' ' 76' ' ' LYS . 0.4 OUTLIER -69.79 -43.77 71.44 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.32 -179.388 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.5 ' HG2' ' O ' ' A' ' 70' ' ' ILE . 66.0 mm-40 -63.63 -41.58 98.25 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 121.079 -0.248 . . . . 0.0 110.466 -178.53 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -63.62 -34.57 78.12 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.457 0.646 . . . . 0.0 109.744 174.485 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.532 ' HB3' ' O ' ' A' ' 73' ' ' ASP . 34.8 ttmt -63.95 -40.3 96.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.118 -0.946 . . . . 0.0 110.175 175.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.527 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 29.9 m170 -64.87 -48.5 74.02 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 121.355 0.598 . . . . 0.0 109.809 178.204 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.408 HG13 ' O ' ' A' ' 74' ' ' GLU . 89.4 mt -60.53 -39.24 80.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 CA-C-N 115.021 -0.991 . . . . 0.0 110.926 -178.51 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -56.56 -33.5 66.2 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 120.796 0.331 . . . . 0.0 110.582 178.502 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 18.1 t-105 -71.13 -57.99 3.98 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.73 175.692 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -57.47 -32.43 66.95 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.229 0.538 . . . . 0.0 111.371 -178.412 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 53.6 tttt -65.39 -47.99 74.43 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.055 176.298 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.29 -33.35 69.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.95 0.405 . . . . 0.0 111.496 -178.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -74.36 -11.06 60.15 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.464 -179.064 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 31.8 t -66.4 -13.59 60.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.988 -175.734 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 48.7 mttp -112.49 14.96 20.31 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.999 -0.281 . . . . 0.0 110.807 178.238 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -117.17 121.08 40.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.021 0.438 . . . . 0.0 110.956 -176.329 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -84.35 64.74 4.21 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.011 177.578 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 38.7 t-20 -122.83 139.34 54.12 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 -177.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -114.95 -61.4 1.76 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -175.676 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -68.83 -48.31 63.86 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.894 0.378 . . . . 0.0 111.408 -173.058 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -68.99 -35.7 77.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.05 0.453 . . . . 0.0 110.262 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.526 ' O ' HG23 ' A' ' 97' ' ' VAL . 39.5 t80 -63.04 -48.63 77.9 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.313 174.735 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.538 ' O ' ' HG3' ' A' ' 98' ' ' GLN . . . -59.29 -39.36 82.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.171 179.361 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 30.4 m -57.21 -44.24 83.53 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.419 178.682 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 8.6 mp -72.72 -33.01 66.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.374 178.159 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 93' ' ' PHE . 84.9 t -62.78 -37.77 79.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.865 0.364 . . . . 0.0 110.247 175.248 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.538 ' HG3' ' O ' ' A' ' 94' ' ' ALA . 95.5 mt-30 -59.89 -33.21 71.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.565 177.081 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -64.03 -36.27 83.43 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.401 175.541 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.527 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 7.0 t-160 -64.34 -40.99 96.97 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 176.643 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.645 HD21 ' HB3' ' A' ' 18' ' ' LEU . 3.9 mm? -60.07 -48.56 81.22 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.915 176.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.423 ' HG2' ' O ' ' A' ' 98' ' ' GLN . 16.8 mm-40 -64.41 -35.89 82.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.218 0.532 . . . . 0.0 110.285 179.635 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -67.93 -49.74 60.07 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.879 -177.3 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -64.55 -20.73 66.41 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.707 0.289 . . . . 0.0 110.586 -177.014 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.545 ' HG3' ' O ' ' A' ' 101' ' ' LEU . 78.3 mt-30 -63.07 -46.93 85.13 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.498 175.479 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 21.1 ttt180 -65.42 -32.73 74.51 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.843 0.354 . . . . 0.0 110.249 177.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.449 ' O ' HG12 ' A' ' 111' ' ' ILE . 15.2 m170 -58.22 -44.07 88.02 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 177.383 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.598 HG11 ' HB3' ' A' ' 115' ' ' ASN . 59.4 t -69.28 -43.72 81.05 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.321 175.103 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.52 ' HG3' ' O ' ' A' ' 105' ' ' GLN . 48.4 mt-10 -57.8 -38.82 76.2 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -177.125 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -70.05 -27.51 64.71 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 122.199 -0.313 . . . . 0.0 111.517 179.249 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.449 HG12 ' O ' ' A' ' 107' ' ' HIS . 31.6 mm -83.87 -73.83 0.3 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 CA-C-O 120.719 0.295 . . . . 0.0 111.525 179.801 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.4 ' O ' ' HB2' ' A' ' 113' ' ' LYS . 9.5 pt-20 -105.01 20.82 18.18 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -173.764 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 112' ' ' GLU . 74.3 mmtt 76.27 -47.54 0.56 Allowed 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 112.594 0.59 . . . . 0.0 112.594 175.065 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 11.7 tttm -166.85 136.62 3.01 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.297 0.094 . . . . 0.0 110.878 -177.117 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.598 ' HB3' HG11 ' A' ' 108' ' ' VAL . 5.4 p-10 . . . . . 0 C--O 1.246 0.92 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 171.482 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.7 ttp . . . . . 0 N--CA 1.478 0.974 0 CA-C-O 121.063 0.459 . . . . 0.0 110.333 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -137.17 111.19 8.3 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 176.615 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -117.73 32.11 6.34 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 121.435 0.636 . . . . 0.0 110.106 -177.434 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.403 ' O ' ' HG ' ' A' ' 8' ' ' LEU . 42.0 tp -148.52 -65.35 0.24 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.957 -179.348 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.17 -37.9 88.82 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 111.721 0.267 . . . . 0.0 111.721 -169.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -66.13 -35.48 80.6 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.864 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 95.3 mt -73.13 -42.66 62.64 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.87 0.367 . . . . 0.0 110.36 175.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 4' ' ' LEU . 87.2 mt -59.92 -28.64 67.77 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.449 178.827 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 43.5 tttp -56.44 -34.89 67.26 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.388 -174.593 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.24 -47.06 68.8 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.104 -179.038 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -68.32 -40.07 81.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.159 0.504 . . . . 0.0 109.903 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -63.82 -39.37 94.08 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.058 178.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -63.99 -41.13 97.6 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.482 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.518 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -58.83 -46.46 93.5 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.898 177.145 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.402 ' HA ' HD12 ' A' ' 18' ' ' LEU . 64.6 mt -63.34 -39.56 85.73 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 CA-C-O 120.94 0.4 . . . . 0.0 110.594 178.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.0 tmtm? -56.42 -46.04 80.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.646 177.552 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.525 HD13 ' HB3' ' A' ' 39' ' ' GLU . 75.1 mt -65.99 -40.79 88.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.65 178.351 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.536 ' HB3' HD21 ' A' ' 101' ' ' LEU . 95.7 mt -57.81 -36.9 72.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.083 178.643 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 30.3 mmtp -60.56 -44.32 96.29 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 120.772 0.32 . . . . 0.0 110.897 177.361 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -62.76 -33.45 75.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.042 -179.42 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.575 ' HA ' HD13 ' A' ' 36' ' ' LEU . 60.5 t -59.08 -42.01 85.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.802 -179.407 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 87.3 mt -58.46 -41.1 84.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.698 179.361 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.2 mmmt -73.1 -46.98 48.24 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.586 178.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.726 ' HD3' ' HB3' ' A' ' 32' ' ' GLU . 68.8 mttm -69.7 -26.82 64.54 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.901 -173.827 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.94 -34.42 78.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.1 0.476 . . . . 0.0 110.105 174.556 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -72.36 -32.81 66.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.812 178.462 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -64.89 -28.48 69.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.2 177.5 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 77.18 17.35 79.65 Favored Glycine 0 N--CA 1.45 -0.372 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.86 175.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -95.38 114.58 26.37 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.882 0.372 . . . . 0.0 110.184 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -72.56 -21.52 61.14 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.02 -0.537 . . . . 0.0 112.251 -176.412 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -68.16 -43.23 78.69 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 177.655 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.726 ' HB3' ' HD3' ' A' ' 24' ' ' LYS . 63.2 mm-40 -60.95 -43.09 99.18 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.048 174.386 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.411 ' HA ' HD12 ' A' ' 36' ' ' LEU . 84.8 mt -61.06 -45.39 94.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.305 179.516 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.86 -42.5 99.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.08 0.467 . . . . 0.0 110.331 177.371 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 34.8 ttt180 -59.0 -46.82 87.21 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.678 176.3 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.6 HD21 ' HD2' ' A' ' 24' ' ' LYS . 80.3 mt -58.95 -46.31 88.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.346 -178.465 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.456 ' O ' HG23 ' A' ' 41' ' ' VAL . 5.9 t30 -62.23 -41.24 98.22 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 -177.825 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.51 -47.81 82.32 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.395 175.851 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.525 ' HB3' HD13 ' A' ' 17' ' ' ILE . 5.8 mm-40 -59.81 -41.81 92.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.134 179.72 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.471 HG13 ' O ' ' A' ' 36' ' ' LEU . 94.5 mt -60.15 -49.8 82.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.608 178.158 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 37' ' ' ASN . 89.2 t -56.27 -46.1 81.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.01 0.433 . . . . 0.0 110.614 178.24 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 52.3 mtpt -61.69 -42.91 99.57 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.467 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.55 -47.13 61.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.552 -0.294 . . . . 0.0 111.494 -179.389 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.471 ' O ' HG23 ' A' ' 48' ' ' VAL . 6.0 mm-40 -58.84 -46.28 88.06 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.479 -179.542 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.406 ' CG ' HD13 ' A' ' 78' ' ' ILE . 27.0 mtpp -69.4 -30.95 69.02 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 116.712 -0.222 . . . . 0.0 111.39 -179.62 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -60.29 -40.95 92.29 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 175.139 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -68.16 -45.87 68.62 Favored Glycine 0 N--CA 1.446 -0.638 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.744 174.32 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 44' ' ' GLU . 63.4 t -53.83 -40.93 46.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.77 0.319 . . . . 0.0 111.196 178.453 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.406 ' HB2' ' HE3' ' A' ' 49' ' ' LYS . 37.5 ttmt -58.23 -51.52 69.41 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.206 -177.119 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.8 m -73.3 -41.15 57.7 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.235 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 178.524 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.526 ' HB2' HD23 ' A' ' 71' ' ' LEU . 10.8 m-85 -66.48 -37.96 86.25 Favored 'General case' 0 C--O 1.226 -0.166 0 N-CA-C 111.556 0.206 . . . . 0.0 111.556 -176.224 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.551 ' HA ' ' HG ' ' A' ' 71' ' ' LEU . 55.1 tttp -63.08 -37.41 87.09 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.0 0.428 . . . . 0.0 110.141 -179.125 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -67.24 -43.02 83.01 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.219 176.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.71 -32.99 71.87 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.487 -178.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.15 -42.1 94.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.854 0.359 . . . . 0.0 111.277 -179.052 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -81.16 -12.92 59.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.053 -178.282 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.5 ttpt -125.22 28.65 6.29 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.423 0.63 . . . . 0.0 110.197 -174.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.64 ' HB3' ' HG3' ' A' ' 64' ' ' ARG . . . -78.37 157.88 28.94 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.348 179.157 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 52.0 mtt180 -101.79 -59.16 1.75 Allowed 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.872 -174.451 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -83.65 128.02 65.44 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.001 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -59.9 -38.5 78.79 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 123.066 2.511 . . . . 0.0 113.231 -174.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -63.56 -45.27 91.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.961 0.41 . . . . 0.0 110.515 -177.667 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 32.8 mmtm -75.8 -28.01 58.17 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.305 176.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.64 ' HG3' ' HB3' ' A' ' 58' ' ' ALA . 29.8 ttt180 -57.73 -46.21 84.75 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 175.531 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.11 -43.17 95.8 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.858 177.095 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 77.8 t -58.74 -53.66 44.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.313 178.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 70.3 mt -62.27 -42.47 95.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.712 -178.317 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -60.08 -47.07 87.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.771 179.303 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.56 ' HA ' ' HE3' ' A' ' 69' ' ' LYS . 0.1 OUTLIER -64.12 -45.27 89.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.847 -177.142 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.537 HG23 ' ND1' ' A' ' 107' ' ' HIS . 50.8 mt -66.94 -38.23 80.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.951 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.551 ' HG ' ' HA ' ' A' ' 52' ' ' LYS . 2.8 tm? -58.68 -50.05 75.32 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.44 177.227 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -68.69 -35.8 77.66 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.073 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.48 ' HB3' ' CE1' ' A' ' 107' ' ' HIS . 0.5 OUTLIER -62.06 -42.65 99.41 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 121.221 0.534 . . . . 0.0 110.299 178.391 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -60.51 -39.11 86.59 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.098 -0.956 . . . . 0.0 110.482 -176.464 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.444 ' HA ' HD12 ' A' ' 78' ' ' ILE . 19.7 mm-40 -67.68 -35.84 79.58 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 120.729 0.299 . . . . 0.0 110.998 174.655 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -64.57 -34.03 77.29 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.614 0.245 . . . . 0.0 110.86 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.412 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 45.2 m170 -61.67 -47.24 86.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.69 0.757 . . . . 0.0 109.467 175.553 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.576 HG22 ' HE3' ' A' ' 82' ' ' LYS . 48.6 mt -61.39 -38.41 79.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 114.778 -1.101 . . . . 0.0 110.421 178.764 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.478 ' HA ' ' OE1' ' A' ' 79' ' ' GLU . 9.3 mm-40 -56.74 -43.28 80.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.464 175.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.485 ' CZ2' HD13 ' A' ' 96' ' ' LEU . 21.5 t-105 -65.06 -53.88 38.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.733 176.383 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 53.7 m-70 -59.27 -36.67 75.93 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -177.187 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.576 ' HE3' HG22 ' A' ' 78' ' ' ILE . 10.6 mtmp? -68.78 -36.24 78.05 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.689 177.663 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.83 -35.23 72.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.039 0.447 . . . . 0.0 110.716 176.566 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.21 -12.14 60.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.515 179.079 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 48.8 m -61.91 143.23 56.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.688 -179.082 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 8.6 mtpm? 69.94 10.33 7.41 Favored 'General case' 0 N--CA 1.463 0.213 0 O-C-N 123.912 0.758 . . . . 0.0 111.788 177.529 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 46.7 tp60 -123.58 83.57 2.15 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 174.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -75.82 120.31 5.95 Favored Glycine 0 N--CA 1.452 -0.281 0 CA-C-N 115.815 -0.63 . . . . 0.0 113.395 -173.63 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -138.34 164.8 28.37 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 176.141 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -121.29 -65.05 1.17 Allowed 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.954 -0.298 . . . . 0.0 111.566 179.17 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -63.44 -47.52 81.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.876 0.37 . . . . 0.0 111.702 -174.153 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -68.16 -39.02 82.69 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.512 0.672 . . . . 0.0 109.905 177.667 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.552 ' O ' HG13 ' A' ' 97' ' ' VAL . 70.8 t80 -61.52 -49.82 75.17 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.803 -1.089 . . . . 0.0 111.006 -177.204 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.578 ' HA ' HG22 ' A' ' 97' ' ' VAL . . . -66.12 -24.84 66.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.749 0.309 . . . . 0.0 111.646 -177.238 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 52.5 m -72.41 -42.05 65.58 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.137 0.494 . . . . 0.0 109.966 173.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.485 HD13 ' CZ2' ' A' ' 80' ' ' TRP . 94.3 mt -72.87 -33.74 66.28 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.704 -178.061 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.578 HG22 ' HA ' ' A' ' 94' ' ' ALA . 32.6 m -63.54 -35.21 71.74 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 CA-C-O 120.732 0.301 . . . . 0.0 110.83 178.527 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -57.64 -32.19 67.01 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.289 177.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.67 -42.75 99.79 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 177.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.412 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 5.6 t-160 -66.9 -41.67 86.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.716 178.421 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.536 HD21 ' HB3' ' A' ' 18' ' ' LEU . 3.8 mm? -59.21 -48.37 81.88 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.52 178.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -67.39 -36.04 80.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.071 0.462 . . . . 0.0 110.653 179.397 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -62.88 -48.99 76.61 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.547 -178.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.446 ' O ' HG23 ' A' ' 108' ' ' VAL . 20.5 mm-40 -66.82 -27.61 67.7 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 121.008 -0.277 . . . . 0.0 110.59 -178.217 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.577 ' O ' ' HG3' ' A' ' 109' ' ' GLU . 77.4 mt-30 -66.89 -39.08 87.37 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 173.807 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.96 -38.72 89.56 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.142 172.424 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.606 ' O ' HG13 ' A' ' 111' ' ' ILE . 17.2 m170 -59.88 -49.81 76.24 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.071 175.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 104' ' ' GLU . 94.1 t -61.67 -40.99 88.66 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.367 -179.557 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.577 ' HG3' ' O ' ' A' ' 105' ' ' GLN . 50.8 mt-10 -56.99 -45.29 83.1 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-O 121.19 0.519 . . . . 0.0 110.335 177.2 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -70.04 -29.26 66.24 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.327 -0.852 . . . . 0.0 110.71 -176.036 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.606 HG13 ' O ' ' A' ' 107' ' ' HIS . 57.7 mt -81.55 -67.16 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.971 0.415 . . . . 0.0 111.265 178.472 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.46 ' O ' ' HB3' ' A' ' 113' ' ' LYS . 36.8 mt-10 -84.22 -55.31 4.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.582 -172.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.46 ' HB3' ' O ' ' A' ' 112' ' ' GLU . 43.5 tttm 72.75 -41.1 0.49 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.57 0.748 . . . . 0.0 111.746 -177.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -90.32 24.22 2.64 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.073 0.463 . . . . 0.0 110.947 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 43.2 t30 . . . . . 0 C--O 1.244 0.81 0 CA-C-O 118.781 -0.628 . . . . 0.0 110.163 178.721 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.2 mtt . . . . . 0 N--CA 1.483 1.183 0 CA-C-O 120.762 0.315 . . . . 0.0 110.8 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -73.24 97.0 2.35 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.964 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -122.72 80.32 1.73 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.717 176.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.404 HD12 ' N ' ' A' ' 4' ' ' LEU . 6.1 mp -94.8 40.85 1.09 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.893 -175.372 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.536 ' O ' ' HG3' ' A' ' 9' ' ' LYS . 85.2 mtt180 -60.68 -50.75 72.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.193 -176.769 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -67.96 -34.68 77.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.008 0.433 . . . . 0.0 110.674 -178.339 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.578 ' HB3' ' HE1' ' A' ' 51' ' ' TYR . 53.5 mt -69.43 -39.8 77.62 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.74 -177.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -70.7 -38.17 73.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.013 178.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.536 ' HG3' ' O ' ' A' ' 5' ' ' ARG . 53.5 mtpt -59.33 -31.47 69.2 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.312 178.389 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.88 -44.69 86.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.686 0.279 . . . . 0.0 111.098 177.397 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -66.21 -40.87 90.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.832 0.349 . . . . 0.0 110.524 176.522 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -62.61 -33.88 75.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.548 177.348 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.438 ' O ' HG13 ' A' ' 17' ' ' ILE . 25.3 tp60 -62.12 -45.26 94.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.169 177.201 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.635 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -62.02 -46.59 93.75 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.806 -0.712 . . . . 0.0 111.647 177.604 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 82.6 mt -60.16 -43.05 92.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.743 0.306 . . . . 0.0 110.732 178.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.3 tmtm? -56.54 -44.49 80.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.514 177.691 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.548 ' O ' HG23 ' A' ' 21' ' ' VAL . 69.9 mt -68.66 -42.91 83.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.877 178.269 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.635 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 93.4 mt -57.26 -37.43 72.33 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.959 -179.648 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.598 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 98.9 mttt -57.73 -42.22 83.4 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 121.08 0.467 . . . . 0.0 111.055 176.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -75.22 -32.7 61.22 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.981 -179.209 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.58 HG21 HD11 ' A' ' 40' ' ' ILE . 87.9 t -59.67 -44.98 94.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.992 178.67 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.598 ' HG ' ' O ' ' A' ' 19' ' ' LYS . 4.4 pp -64.45 -34.74 78.9 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.59 179.442 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -63.69 -47.71 80.06 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 121.282 0.563 . . . . 0.0 109.943 175.417 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.46 ' HA ' ' HD3' ' A' ' 24' ' ' LYS . 69.7 mmtt -72.27 -21.16 61.41 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.605 -176.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.84 -33.37 70.59 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.949 0.404 . . . . 0.0 110.513 175.424 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -72.76 -30.83 64.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.255 0.55 . . . . 0.0 110.439 176.118 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -78.08 -33.56 50.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.794 178.164 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.63 39.91 47.81 Favored Glycine 0 N--CA 1.448 -0.521 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 -175.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -94.53 100.51 12.47 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 -176.279 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -60.42 -41.47 94.02 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.61 -176.468 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -60.99 -50.67 72.45 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 -176.193 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.408 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 18.2 mm-40 -71.47 -38.56 71.24 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.258 -179.322 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.463 HD22 ' CE2' ' A' ' 93' ' ' PHE . 31.1 mt -59.52 -45.7 91.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.559 0.218 . . . . 0.0 110.863 177.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.63 -44.46 90.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.872 0.368 . . . . 0.0 110.562 178.283 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.453 HH11 ' HD3' ' A' ' 35' ' ' ARG . 24.5 ttm-85 -59.68 -49.09 79.11 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.125 178.067 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.558 ' O ' HG13 ' A' ' 40' ' ' ILE . 90.7 mt -63.67 -45.08 91.73 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.754 -179.202 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.428 ' O ' HG23 ' A' ' 41' ' ' VAL . 7.6 t30 -59.86 -40.28 88.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.168 0.509 . . . . 0.0 110.199 179.204 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -66.76 -42.73 85.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.571 177.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.503 ' HA ' ' HG2' ' A' ' 42' ' ' LYS . 0.3 OUTLIER -70.57 -30.72 67.5 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.46 -179.579 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.58 HD11 HG21 ' A' ' 21' ' ' VAL . 83.2 mt -56.97 -49.56 78.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 172.378 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 37' ' ' ASN . 61.9 t -54.8 -40.17 51.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.928 177.803 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.503 ' HG2' ' HA ' ' A' ' 39' ' ' GLU . 37.5 mmtm -58.09 -48.02 81.45 Favored 'General case' 0 CA--C 1.528 0.106 0 CA-C-O 120.907 0.384 . . . . 0.0 110.428 179.134 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.3 -46.45 64.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.413 -176.516 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.503 ' O ' HG23 ' A' ' 48' ' ' VAL . 7.7 mm-40 -58.84 -46.38 87.85 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.594 -179.32 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.574 ' HE2' HG21 ' A' ' 78' ' ' ILE . 62.3 mmtt -65.51 -37.48 86.89 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.221 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.405 ' O ' HG22 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -60.44 -45.35 93.98 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 177.886 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -66.27 -47.16 73.74 Favored Glycine 0 N--CA 1.448 -0.545 0 CA-C-N 115.547 -0.751 . . . . 0.0 112.559 178.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.542 HG22 ' HB3' ' A' ' 74' ' ' GLU . 81.0 t -58.14 -41.96 82.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.934 0.367 . . . . 0.0 111.211 -179.643 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -63.66 -50.17 70.31 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.017 -176.16 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.405 HG22 ' O ' ' A' ' 46' ' ' GLN . 25.4 m -70.87 -34.44 55.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 111.666 0.247 . . . . 0.0 111.666 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.578 ' HE1' ' HB3' ' A' ' 7' ' ' LEU . 11.4 m-30 -65.51 -37.23 86.16 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.461 0.172 . . . . 0.0 110.923 179.602 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 48.7 tttm -57.51 -44.5 85.09 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.704 0.287 . . . . 0.0 110.703 178.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -69.48 -42.17 75.18 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.999 0.428 . . . . 0.0 110.238 177.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.92 -32.5 72.91 Favored 'General case' 0 C--O 1.225 -0.194 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.439 -179.317 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.04 -32.87 72.47 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.424 178.539 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -90.92 -11.9 37.69 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.993 0.425 . . . . 0.0 110.654 -179.387 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 54.0 mttp -109.76 21.18 17.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.358 176.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.91 -29.27 69.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.767 -174.079 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.545 ' HD3' ' O ' ' A' ' 59' ' ' ARG . 3.9 tmt_? 78.21 -23.78 0.24 Allowed 'General case' 0 N--CA 1.468 0.439 0 O-C-N 123.699 0.624 . . . . 0.0 111.351 172.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.467 ' HB3' ' HD3' ' A' ' 63' ' ' LYS . 21.4 t-20 -144.44 135.35 12.34 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 122.314 -0.241 . . . . 0.0 110.703 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -56.42 -38.36 95.41 Favored 'Trans proline' 0 CA--C 1.533 0.442 0 C-N-CA 123.633 2.889 . . . . 0.0 114.318 -176.216 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -69.49 -44.37 71.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.807 0.336 . . . . 0.0 110.876 -175.364 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.467 ' HD3' ' HB3' ' A' ' 60' ' ' ASN . 7.3 ptmm? -75.87 -26.44 57.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.925 0.393 . . . . 0.0 110.35 177.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -58.55 -44.13 89.56 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 174.204 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 24.9 tm0? -56.99 -42.32 80.05 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.896 179.523 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.568 HG13 ' HG3' ' A' ' 110' ' ' GLU . 87.2 t -59.02 -49.98 81.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.01 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 49.2 mm -65.44 -45.75 92.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.794 -179.424 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -63.24 -37.92 89.14 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.408 -178.327 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -60.73 -46.28 91.02 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.102 0.477 . . . . 0.0 111.135 178.394 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 16.1 mt -72.19 -37.15 58.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.109 178.538 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -54.76 -41.81 70.92 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 175.658 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -64.69 -47.37 78.62 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.944 175.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.553 ' HB3' ' CE1' ' A' ' 107' ' ' HIS . 0.4 OUTLIER -71.24 -39.05 71.9 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.914 -173.357 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.542 ' HB3' HG22 ' A' ' 48' ' ' VAL . 3.2 tp10 -66.81 -34.4 77.72 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.607 -173.435 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.507 ' HA ' ' OE1' ' A' ' 75' ' ' GLU . 1.3 mm-40 -67.87 -34.64 77.06 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 121.376 0.607 . . . . 0.0 110.222 172.345 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.531 ' HB3' ' O ' ' A' ' 73' ' ' ASP . 87.7 tttt -61.29 -33.89 74.3 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.686 178.429 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 51.8 m170 -68.99 -48.11 63.9 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.262 0.553 . . . . 0.0 110.712 179.694 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.574 HG21 ' HE2' ' A' ' 45' ' ' LYS . 57.9 mt -59.57 -48.89 85.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.053 -174.782 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.473 ' HA ' ' HD3' ' A' ' 82' ' ' LYS . 73.4 mm-40 -58.47 -32.7 69.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.982 178.818 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 10.0 t-105 -68.67 -49.6 57.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.675 -0.239 . . . . 0.0 110.485 179.116 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 44.1 m-70 -61.9 -32.36 72.73 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-O 120.703 0.287 . . . . 0.0 111.772 176.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.473 ' HD3' ' HA ' ' A' ' 79' ' ' GLU . 52.3 mtpt -62.04 -47.34 85.18 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.848 0.356 . . . . 0.0 110.687 175.434 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.11 -30.44 68.72 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.324 -179.148 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.54 -11.46 60.03 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -174.617 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 77.9 p -77.87 64.49 3.12 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 121.321 0.581 . . . . 0.0 111.491 -176.704 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.404 ' HA ' ' HD3' ' A' ' 86' ' ' LYS . 37.2 mmtm -138.52 154.69 48.78 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.302 178.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -66.72 143.94 56.65 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.192 -177.014 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 103.6 -12.26 53.94 Favored Glycine 0 N--CA 1.448 -0.509 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.568 -177.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -84.94 86.13 7.41 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.812 0.339 . . . . 0.0 110.575 -177.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -125.64 -71.78 0.69 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.344 177.497 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -58.75 -39.32 80.58 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.347 0.594 . . . . 0.0 110.356 176.352 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.518 ' O ' ' HG ' ' A' ' 96' ' ' LEU . 2.2 mp0 -68.04 -38.22 82.24 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.549 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.463 ' CE2' HD22 ' A' ' 33' ' ' LEU . 0.9 OUTLIER -62.97 -37.63 87.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.206 -177.682 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.414 ' O ' ' HG3' ' A' ' 98' ' ' GLN . . . -60.73 -30.46 69.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.991 176.817 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 22.4 t -84.67 -36.48 21.89 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.906 0.384 . . . . 0.0 110.6 177.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 92' ' ' GLN . 89.5 mt -65.69 -38.41 89.15 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.282 -177.695 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 14.7 p -62.48 -34.76 66.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.4 178.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.414 ' HG3' ' O ' ' A' ' 94' ' ' ALA . 90.5 mt-30 -57.46 -44.05 84.51 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.362 178.227 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -65.52 -42.97 91.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.844 -175.009 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -68.58 -42.33 78.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.841 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.409 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 55.3 tp -61.16 -48.37 81.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.754 -179.027 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -66.81 -34.77 78.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.567 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -65.01 -49.92 68.31 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.641 -179.631 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -66.32 -22.34 66.28 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 120.508 0.194 . . . . 0.0 110.509 -177.278 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.409 ' HG3' ' O ' ' A' ' 101' ' ' LEU . 78.1 mt-30 -61.61 -46.36 90.15 Favored 'General case' 0 C--N 1.333 -0.136 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 172.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.5 -33.77 76.31 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.341 175.855 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.553 ' CE1' ' HB3' ' A' ' 73' ' ' ASP . 12.3 m170 -60.6 -49.79 76.13 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.17 0.509 . . . . 0.0 110.286 177.258 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 85.8 t -67.69 -37.97 79.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.719 179.276 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.406 ' HG3' ' O ' ' A' ' 105' ' ' GLN . 47.9 mt-10 -57.39 -34.06 68.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.977 174.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.568 ' HG3' HG13 ' A' ' 66' ' ' VAL . 5.9 tp10 -69.75 -45.13 68.79 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.042 -178.723 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.492 HG13 ' O ' ' A' ' 107' ' ' HIS . 0.9 OUTLIER -93.38 -65.62 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.291 0.567 . . . . 0.0 112.247 -174.291 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.403 ' O ' ' HB2' ' A' ' 113' ' ' LYS . 5.1 tm-20 -65.33 -65.2 0.7 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.715 -166.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.403 ' HB2' ' O ' ' A' ' 112' ' ' GLU . 42.4 mttp 71.65 4.42 5.04 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 113.711 1.004 . . . . 0.0 113.711 172.492 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -104.78 -52.15 2.92 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.103 0.477 . . . . 0.0 110.11 178.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 36.3 t30 . . . . . 0 C--O 1.25 1.1 0 CA-C-N 115.245 -0.888 . . . . 0.0 110.67 177.745 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.8 ttp . . . . . 0 N--CA 1.483 1.186 0 CA-C-O 120.384 0.135 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.425 ' CG ' HH21 ' A' ' 59' ' ' ARG . 12.6 t70 63.24 73.84 0.44 Allowed 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.416 0.627 . . . . 0.0 109.908 179.776 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -159.09 147.35 17.96 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.119 -175.32 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.2 mp -118.68 -27.55 5.84 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.688 0.28 . . . . 0.0 111.572 -175.43 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -68.26 -37.37 80.66 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -174.498 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -58.32 -35.58 72.1 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.895 0.378 . . . . 0.0 110.84 175.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.662 ' HG ' HG23 ' A' ' 50' ' ' VAL . 6.8 mp -71.36 -42.95 67.82 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.067 179.587 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -65.88 -39.97 91.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.498 -0.773 . . . . 0.0 110.018 179.542 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -61.72 -41.84 98.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.558 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.94 -41.64 91.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.691 0.281 . . . . 0.0 110.846 179.339 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -61.29 -44.29 97.46 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-O 121.197 0.522 . . . . 0.0 109.789 177.016 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 71.5 mm-40 -61.88 -38.9 90.03 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.139 177.532 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.47 ' O ' HG13 ' A' ' 17' ' ' ILE . 48.9 mt-30 -61.3 -44.76 96.68 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.028 179.428 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.632 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -59.9 -46.5 94.01 Favored Glycine 0 C--N 1.332 0.358 0 C-N-CA 120.673 -0.775 . . . . 0.0 111.82 177.573 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.557 ' HA ' HD12 ' A' ' 18' ' ' LEU . 79.1 mt -58.61 -42.13 84.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.033 0.444 . . . . 0.0 111.121 179.088 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 31.0 ttmt -65.14 -41.35 94.88 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.895 -177.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 13' ' ' GLN . 58.1 mt -69.06 -33.45 58.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.567 178.259 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.632 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 86.9 mt -57.05 -37.56 71.98 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.213 178.806 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -66.92 -37.34 84.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.909 0.385 . . . . 0.0 110.839 179.234 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -62.79 -36.9 84.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.018 178.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.483 HG11 HG21 ' A' ' 97' ' ' VAL . 64.9 t -60.47 -41.56 88.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.643 178.818 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 48.4 mt -62.89 -38.11 89.59 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.589 -179.05 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -71.99 -48.03 47.72 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.172 179.588 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.44 -26.6 61.9 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.84 -174.736 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.23 -36.29 79.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.976 0.417 . . . . 0.0 110.516 176.161 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -71.9 -34.5 69.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.491 177.214 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -67.08 -31.53 72.08 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.212 175.31 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 84.89 35.14 13.37 Favored Glycine 0 N--CA 1.449 -0.447 0 CA-C-N 115.772 -0.649 . . . . 0.0 113.4 172.732 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -109.9 128.98 55.69 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.863 0.363 . . . . 0.0 110.503 176.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -89.95 -24.0 21.41 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.191 -175.196 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -61.96 -46.79 87.72 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 174.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.461 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 20.2 mm-40 -60.95 -45.57 94.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.743 174.322 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 50.9 mt -58.88 -41.94 88.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.442 -179.608 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.76 -45.86 87.93 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 120.748 0.309 . . . . 0.0 110.479 178.455 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 51.7 ttm-85 -60.25 -49.12 78.86 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.047 177.574 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.506 ' O ' HG13 ' A' ' 40' ' ' ILE . 96.0 mt -62.71 -42.89 99.88 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.712 -178.244 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.453 ' O ' HG23 ' A' ' 41' ' ' VAL . 25.7 t-20 -56.02 -48.71 75.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.139 178.232 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.48 -48.18 80.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.032 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -65.48 -32.42 74.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.682 -0.236 . . . . 0.0 111.382 -176.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.566 ' O ' ' HG2' ' A' ' 44' ' ' GLU . 80.1 mt -62.37 -49.51 83.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 174.243 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 37' ' ' ASN . 83.9 t -57.69 -40.66 76.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.721 179.263 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -59.36 -45.63 90.89 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.075 177.416 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.78 -47.06 70.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.979 -178.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.566 ' HG2' ' O ' ' A' ' 40' ' ' ILE . 6.3 mm-40 -58.99 -47.24 85.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.646 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.528 ' HG2' HD13 ' A' ' 78' ' ' ILE . 13.6 mmtm -65.69 -37.15 85.66 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.407 -179.344 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 27.6 tp60 -60.82 -41.72 96.3 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 177.423 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -68.78 -47.42 55.68 Favored Glycine 0 N--CA 1.444 -0.794 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.993 176.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.56 HG12 ' HE2' ' A' ' 52' ' ' LYS . 62.9 t -53.86 -42.4 52.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.767 0.283 . . . . 0.0 111.188 179.762 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -65.93 -46.76 77.06 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 121.085 -0.246 . . . . 0.0 111.309 -178.58 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.662 HG23 ' HG ' ' A' ' 7' ' ' LEU . 28.8 m -70.46 -32.56 50.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 120.859 -0.336 . . . . 0.0 111.417 -179.327 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.47 ' CD1' HD23 ' A' ' 7' ' ' LEU . 31.3 m-85 -64.93 -42.93 94.25 Favored 'General case' 0 CA--C 1.522 -0.129 0 CA-C-O 120.766 0.317 . . . . 0.0 110.355 174.277 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.56 ' HE2' HG12 ' A' ' 48' ' ' VAL . 43.9 mtmt -59.24 -42.27 90.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.02 177.235 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -59.66 -46.88 87.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.558 179.117 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.16 -33.09 67.44 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.937 -178.27 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.26 -47.69 84.88 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -175.655 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -86.33 7.94 23.49 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.872 0.367 . . . . 0.0 111.774 -176.455 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 39.1 tttm -139.65 23.5 2.47 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.234 0.54 . . . . 0.0 109.736 -179.091 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.24 155.6 40.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.771 -0.65 . . . . 0.0 112.12 -174.744 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.425 HH21 ' CG ' ' A' ' 2' ' ' ASP . 62.8 mtt180 -93.56 -4.02 51.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.867 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -153.46 116.79 2.73 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.564 -178.286 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -56.83 -44.26 46.62 Favored 'Trans proline' 0 CA--C 1.531 0.341 0 C-N-CA 123.159 2.573 . . . . 0.0 113.241 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -60.73 -43.37 97.96 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 120.687 0.28 . . . . 0.0 111.356 -179.649 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.452 ' O ' ' HB ' ' A' ' 66' ' ' VAL . 50.2 tptt -73.45 -28.7 62.1 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.224 179.272 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 64' ' ' ARG . 0.2 OUTLIER -66.08 -37.58 86.15 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.45 176.507 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.544 ' O ' ' HG3' ' A' ' 69' ' ' LYS . 55.6 tt0 -59.92 -31.74 70.12 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 121.01 0.433 . . . . 0.0 110.2 178.405 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.537 ' CG1' ' HB3' ' A' ' 110' ' ' GLU . 83.1 t -59.23 -48.54 86.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.529 170.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 64.3 mt -61.85 -40.8 88.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.99 178.688 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -55.79 -44.42 77.74 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-O 120.767 0.318 . . . . 0.0 110.942 178.474 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.544 ' HG3' ' O ' ' A' ' 65' ' ' GLN . 48.1 mttp -64.73 -45.57 85.93 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.909 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.452 ' O ' ' HB2' ' A' ' 74' ' ' GLU . 1.7 mp -66.25 -39.52 84.49 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.381 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.405 179.408 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.425 HD21 ' HG3' ' A' ' 52' ' ' LYS . 2.4 tm? -59.88 -49.5 77.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.357 -179.327 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -66.34 -43.51 85.86 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.213 0.53 . . . . 0.0 110.351 -179.471 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -62.75 -44.94 94.89 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.634 179.433 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.452 ' HB2' ' O ' ' A' ' 70' ' ' ILE . 4.9 tp10 -66.23 -39.13 89.34 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.344 -176.761 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.492 ' OE1' ' HA ' ' A' ' 75' ' ' GLU . 0.4 OUTLIER -64.39 -34.68 78.72 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 121.039 0.447 . . . . 0.0 110.39 175.218 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.58 -33.35 75.7 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.927 177.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 64.6 m170 -59.84 -44.65 93.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.257 0.551 . . . . 0.0 109.843 174.679 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.528 HD13 ' HG2' ' A' ' 45' ' ' LYS . 64.9 mt -66.3 -37.52 79.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.692 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -55.26 -43.1 74.37 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.059 0.457 . . . . 0.0 109.952 174.168 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.682 ' CZ2' HD13 ' A' ' 96' ' ' LEU . 15.6 t-105 -69.57 -58.29 4.13 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.422 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 26.6 m-70 -58.47 -34.19 70.59 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -172.658 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 25.3 ttpp -72.74 -39.92 66.47 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.994 0.426 . . . . 0.0 110.432 -179.38 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.69 -30.22 65.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.112 0.482 . . . . 0.0 110.638 176.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.07 -10.36 57.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.443 -0.799 . . . . 0.0 112.159 -178.411 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 34.1 m -66.83 87.0 0.13 Allowed 'General case' 0 CA--C 1.534 0.338 0 CA-C-O 121.181 0.515 . . . . 0.0 110.825 178.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 35.4 mmtp -123.14 -177.28 3.64 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.828 179.146 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -120.22 137.3 54.28 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 177.675 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 70.77 31.92 67.19 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.893 -0.67 . . . . 0.0 113.425 177.492 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 50.0 t-20 -140.8 119.45 12.42 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.897 0.349 . . . . 0.0 110.143 178.441 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -140.0 -21.27 0.87 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.333 178.642 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -66.74 -50.64 62.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.876 0.37 . . . . 0.0 110.908 -174.157 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 25.9 mp0 -70.34 -42.83 71.36 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.316 0.579 . . . . 0.0 109.908 176.205 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.52 ' O ' HG23 ' A' ' 97' ' ' VAL . 72.1 t80 -55.05 -53.82 50.96 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.887 -1.051 . . . . 0.0 111.614 -176.707 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.69 -41.31 97.41 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.742 0.306 . . . . 0.0 111.496 -177.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 15.7 m -61.8 -39.69 92.61 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.355 0.598 . . . . 0.0 110.383 -179.507 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.682 HD13 ' CZ2' ' A' ' 80' ' ' TRP . 6.2 mt -72.78 -32.84 65.89 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.428 178.289 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 93' ' ' PHE . 79.5 t -64.56 -36.59 77.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.903 0.382 . . . . 0.0 110.881 175.688 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -59.02 -36.11 74.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.088 0.47 . . . . 0.0 110.893 177.448 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -73.86 -34.22 64.4 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.677 179.226 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 6.9 t-160 -60.89 -41.38 95.91 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 173.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 50.6 tp -58.45 -48.48 80.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.194 179.51 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -66.77 -35.36 79.91 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 121.051 0.453 . . . . 0.0 110.744 179.615 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -58.89 -47.9 83.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.216 178.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.441 ' O ' ' HB2' ' A' ' 107' ' ' HIS . 15.5 mm-40 -65.57 -23.75 66.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.253 -176.01 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.494 ' O ' ' HG3' ' A' ' 109' ' ' GLU . 78.2 mt-30 -64.61 -40.46 95.55 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.118 176.393 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.508 ' HA ' ' OE1' ' A' ' 109' ' ' GLU . 53.8 mtt180 -62.34 -35.8 80.23 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.155 0.503 . . . . 0.0 109.997 175.789 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.631 ' O ' HG12 ' A' ' 111' ' ' ILE . 16.1 m170 -60.13 -50.05 75.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.682 177.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 104' ' ' GLU . 59.1 t -58.83 -37.79 68.68 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.58 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.508 ' OE1' ' HA ' ' A' ' 106' ' ' ARG . 45.0 mt-10 -58.11 -48.32 80.54 Favored 'General case' 0 N--CA 1.461 0.118 0 CA-C-O 120.94 0.4 . . . . 0.0 110.58 179.576 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.537 ' HB3' ' CG1' ' A' ' 66' ' ' VAL . 21.5 mm-40 -71.45 -38.1 71.32 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.859 179.68 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.631 HG12 ' O ' ' A' ' 107' ' ' HIS . 46.7 mm -62.42 -65.74 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.965 -179.216 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -135.97 81.38 1.88 Allowed 'General case' 0 N--CA 1.447 -0.614 0 CA-C-O 121.188 0.518 . . . . 0.0 111.345 -176.199 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.415 ' HB3' ' O ' ' A' ' 109' ' ' GLU . 18.0 pttp -80.9 5.28 16.61 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.038 174.797 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -100.48 -21.42 15.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.364 175.636 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.738 -0.648 . . . . 0.0 110.423 -176.014 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.3 ttm . . . . . 0 N--CA 1.48 1.074 0 CA-C-O 121.127 0.489 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -146.56 103.42 3.67 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.289 176.327 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.658 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 15.5 mp0 -103.2 -5.91 22.68 Favored 'General case' 0 C--N 1.312 -1.024 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 175.42 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.64 ' O ' ' HG ' ' A' ' 8' ' ' LEU . 9.4 mp -66.84 -32.15 73.23 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.013 -175.352 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -58.17 -49.97 75.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.809 0.337 . . . . 0.0 110.657 178.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -71.9 -34.3 69.01 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.101 177.218 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.658 ' HG ' ' O ' ' A' ' 3' ' ' GLU . 75.7 mt -60.36 -28.87 68.52 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 178.386 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.64 ' HG ' ' O ' ' A' ' 4' ' ' LEU . 82.9 mt -58.91 -29.12 66.82 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.735 -179.132 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -57.22 -34.59 68.72 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.974 -172.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.34 -48.87 73.9 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.973 -0.291 . . . . 0.0 111.342 -176.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -70.43 -39.58 74.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.618 178.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.457 ' HG2' ' O ' ' A' ' 8' ' ' LEU . 31.8 mm-40 -62.08 -46.03 90.9 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.8 0.334 . . . . 0.0 110.599 179.014 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.433 ' O ' HG13 ' A' ' 17' ' ' ILE . 51.0 tp60 -65.99 -43.56 87.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.547 -178.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.656 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -58.58 -46.96 92.52 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.991 178.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.503 ' HA ' HD12 ' A' ' 18' ' ' LEU . 77.0 mt -64.06 -39.21 84.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.604 0.24 . . . . 0.0 110.668 178.186 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.416 ' HA ' ' CE ' ' A' ' 19' ' ' LYS . 12.2 tmtt? -58.01 -46.91 84.52 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 179.099 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.433 HG13 ' O ' ' A' ' 13' ' ' GLN . 67.9 mt -66.18 -33.58 64.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.763 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.656 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 97.7 mt -57.85 -39.46 77.77 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.078 177.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.471 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -65.7 -38.45 89.28 Favored 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 121.074 -0.25 . . . . 0.0 110.822 176.775 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.404 ' HA ' ' HD2' ' A' ' 23' ' ' LYS . 5.7 mm-40 -62.5 -40.66 97.43 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.313 0.578 . . . . 0.0 110.1 -179.673 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.566 HG21 HD11 ' A' ' 40' ' ' ILE . 96.1 t -61.21 -45.62 98.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.856 178.19 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 97.4 mt -60.33 -38.0 82.39 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.83 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.471 ' HG3' ' O ' ' A' ' 19' ' ' LYS . 95.7 mttt -60.81 -48.65 80.83 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.792 179.078 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.826 ' HA ' ' HE3' ' A' ' 24' ' ' LYS . 1.1 tpmt? -71.69 -35.81 70.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.799 -175.483 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.467 ' HA ' HD11 ' A' ' 33' ' ' LEU . . . -60.7 -42.08 96.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.048 178.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -72.24 -20.29 61.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.392 179.095 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -82.43 -20.23 37.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.092 0.472 . . . . 0.0 110.009 174.547 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 77.68 25.6 62.47 Favored Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.858 -0.61 . . . . 0.0 112.626 178.054 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.503 ' HB3' ' HE2' ' A' ' 24' ' ' LYS . 18.6 t70 -101.41 125.92 48.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.868 0.365 . . . . 0.0 110.114 179.639 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -95.06 -9.81 32.66 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.359 -173.635 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -70.16 -51.69 29.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.211 -175.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.523 ' HB2' ' CD ' ' A' ' 24' ' ' LYS . 1.1 mp0 -71.44 -37.24 71.42 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.969 178.261 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.467 HD11 ' HA ' ' A' ' 25' ' ' ALA . 18.8 mt -56.19 -36.93 68.95 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -174.323 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.89 -45.12 83.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.144 0.497 . . . . 0.0 110.503 178.116 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' ' 35' ' ' ARG . 23.5 ttt180 -70.2 -40.05 74.82 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.268 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.467 ' O ' HG13 ' A' ' 40' ' ' ILE . 94.2 mt -63.3 -42.44 99.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.857 0.361 . . . . 0.0 110.425 178.706 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -59.7 -38.95 83.0 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.13 176.525 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -70.15 -36.96 75.1 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.468 177.548 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -64.02 -36.21 83.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.044 0.45 . . . . 0.0 110.138 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.566 HD11 HG21 ' A' ' 21' ' ' VAL . 79.1 mt -60.17 -47.3 92.62 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.133 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.71 177.554 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.441 HG13 HG23 ' A' ' 78' ' ' ILE . 57.7 t -54.67 -40.5 51.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.042 -179.287 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -63.18 -44.49 95.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.993 178.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.02 -46.3 68.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.448 -176.55 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.449 ' O ' HG23 ' A' ' 48' ' ' VAL . 8.0 mm-40 -58.87 -47.33 85.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.771 -179.465 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.498 ' HG3' HD13 ' A' ' 78' ' ' ILE . 62.0 mttm -69.87 -30.84 68.4 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.26 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.401 ' O ' HG23 ' A' ' 50' ' ' VAL . 58.9 tp60 -59.65 -42.89 93.81 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 177.05 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.1 -48.05 61.64 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.574 -0.822 . . . . 0.0 111.881 176.485 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 44' ' ' GLU . 77.6 t -55.24 -48.79 76.08 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 CA-C-O 120.822 0.344 . . . . 0.0 111.585 -179.119 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -57.0 -49.41 75.86 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.38 -177.455 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 46' ' ' GLN . 28.1 t -70.32 -37.84 72.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.885 0.374 . . . . 0.0 110.95 -179.522 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.628 ' HE1' ' HB3' ' A' ' 7' ' ' LEU . 10.3 m-30 -63.0 -44.27 96.49 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.503 -179.067 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.463 ' HB2' HD11 ' A' ' 71' ' ' LEU . 34.4 ttpt -62.92 -35.7 80.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.751 0.31 . . . . 0.0 110.794 -177.356 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.8 tm-20 -60.41 -48.83 80.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.601 179.196 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.05 -37.92 66.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.782 -0.645 . . . . 0.0 112.167 -179.433 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.71 -44.73 86.13 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 112.014 0.375 . . . . 0.0 112.014 -175.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -83.24 3.45 31.11 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.969 0.414 . . . . 0.0 110.859 -178.33 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -116.28 -22.23 8.95 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.102 -172.286 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -75.22 144.23 42.73 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.026 -179.214 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 45.3 mtm-85 -93.34 -1.29 56.11 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.798 -179.182 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.524 ' HB2' ' HB3' ' A' ' 63' ' ' LYS . 17.2 m120 -101.2 113.99 65.79 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.726 -176.133 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_exo -57.59 -48.39 17.35 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 123.189 2.593 . . . . 0.0 113.142 -177.457 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.444 ' CD ' ' H ' ' A' ' 62' ' ' GLU . 0.5 OUTLIER -70.24 -38.56 75.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.88 0.372 . . . . 0.0 110.616 -176.779 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.524 ' HB3' ' HB2' ' A' ' 60' ' ' ASN . 87.4 tttt -64.42 -36.2 83.38 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.876 177.773 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 43.2 ttt-85 -67.99 -41.26 82.58 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.478 176.26 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 23.3 tm0? -56.48 -44.05 80.23 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 -179.1 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 88.7 t -58.82 -47.72 88.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.084 0.469 . . . . 0.0 110.317 178.672 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 68.8 mt -64.48 -46.99 91.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.914 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -59.19 -44.41 92.21 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.624 -178.584 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -61.02 -45.37 95.09 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.99 -179.378 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.44 HD13 HD11 ' A' ' 111' ' ' ILE . 83.7 mt -68.84 -41.55 82.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.662 179.727 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.463 HD11 ' HB2' ' A' ' 52' ' ' LYS . 6.5 tt -58.04 -44.51 87.44 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.375 178.845 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -64.44 -42.24 96.09 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.659 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.466 ' HB3' ' CE1' ' A' ' 107' ' ' HIS . 18.6 t0 -67.89 -41.53 82.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.409 0.623 . . . . 0.0 110.649 -178.307 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.445 ' OE1' ' HA ' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -60.8 -41.8 96.36 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.581 -174.295 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.508 ' HA ' HD12 ' A' ' 78' ' ' ILE . 49.6 mm-40 -68.3 -34.43 76.12 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 120.776 0.322 . . . . 0.0 110.644 175.692 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.438 ' HB3' ' O ' ' A' ' 73' ' ' ASP . 64.1 tttm -59.2 -37.07 76.53 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.393 177.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.551 ' HE2' ' CG ' ' A' ' 103' ' ' ASP . 57.3 m170 -66.12 -46.35 77.87 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.575 0.702 . . . . 0.0 110.287 176.472 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.508 HD12 ' HA ' ' A' ' 75' ' ' GLU . 75.6 mt -59.59 -37.22 69.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 114.872 -1.058 . . . . 0.0 111.522 -178.312 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -55.16 -41.04 71.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.376 178.7 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 38.7 t-105 -71.25 -54.29 11.4 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 179.248 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 80.1 m-70 -59.37 -32.09 69.82 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 -178.016 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.414 ' HE2' ' HB3' ' A' ' 82' ' ' LYS . 36.6 ttpt -61.62 -42.77 99.35 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.845 0.355 . . . . 0.0 110.705 177.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.84 -28.56 64.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.946 0.403 . . . . 0.0 110.894 179.345 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.31 -9.67 58.81 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.192 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 34.7 m -76.01 42.17 0.24 Allowed 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 113.221 0.823 . . . . 0.0 113.221 -172.201 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -138.71 92.01 2.58 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 173.168 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.2 tp60 68.69 130.5 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.039 -0.982 . . . . 0.0 111.048 -174.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -69.07 141.16 35.45 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.26 -179.487 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.543 ' HB3' ' HB2' ' A' ' 93' ' ' PHE . 25.5 t-20 -116.27 151.12 36.43 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 176.106 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -108.13 -66.48 1.04 Allowed 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.775 -0.37 . . . . 0.0 111.899 -176.675 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -64.42 -49.08 72.94 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -169.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -70.76 -49.69 44.02 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.618 0.723 . . . . 0.0 110.468 177.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.543 ' HB2' ' HB3' ' A' ' 89' ' ' ASN . 63.5 t80 -60.19 -37.93 81.72 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.58 -1.191 . . . . 0.0 112.303 -171.53 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.23 -41.47 79.56 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 -178.263 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 10.4 t -69.27 -30.68 68.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.01 0.433 . . . . 0.0 110.681 -176.648 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -72.55 -36.94 68.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.127 179.603 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 93' ' ' PHE . 54.9 t -63.99 -36.67 77.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.087 0.47 . . . . 0.0 110.523 178.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 65.0 mt-30 -61.35 -40.36 94.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.619 178.104 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -63.53 -41.69 98.46 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.311 178.696 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.4 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 4.7 t-160 -59.08 -44.31 91.88 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.001 177.625 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.513 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 1.4 tt -64.31 -43.33 95.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.567 -177.472 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -61.15 -35.94 78.45 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.388 0.613 . . . . 0.0 110.53 178.253 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.551 ' CG ' ' HE2' ' A' ' 77' ' ' HIS . 8.2 t70 -68.12 -47.3 68.51 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 114.944 -1.025 . . . . 0.0 111.011 -178.22 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -64.85 -28.63 69.69 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.521 -177.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.513 ' HG3' ' O ' ' A' ' 101' ' ' LEU . 27.8 mt-30 -60.87 -36.27 78.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.732 0.301 . . . . 0.0 110.555 179.701 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.12 -40.01 95.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.339 177.545 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.622 ' O ' HG13 ' A' ' 111' ' ' ILE . 64.8 m170 -60.81 -49.94 75.44 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.206 177.696 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 95.9 t -59.55 -40.6 82.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.7 -177.65 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.51 ' HG3' ' O ' ' A' ' 105' ' ' GLN . 49.3 mt-10 -62.0 -38.06 87.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.746 0.308 . . . . 0.0 111.166 -178.855 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.456 ' O ' ' HE2' ' A' ' 113' ' ' LYS . 43.0 mt-10 -72.06 -29.19 63.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.633 178.029 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.622 HG13 ' O ' ' A' ' 107' ' ' HIS . 23.1 mt -86.11 -64.49 1.06 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.331 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 -177.813 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -77.42 42.82 0.36 Allowed 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 112.638 0.606 . . . . 0.0 112.638 -169.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.456 ' HE2' ' O ' ' A' ' 110' ' ' GLU . 59.1 pttt -106.71 -25.23 11.84 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.842 0.353 . . . . 0.0 110.422 174.137 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 59.2 mmtt -106.49 -5.57 18.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.327 0.584 . . . . 0.0 110.142 173.569 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 8.7 m120 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.238 -0.886 . . . . 0.0 109.709 177.416 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 mpt? . . . . . 0 N--CA 1.482 1.147 0 CA-C-O 120.345 0.116 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -147.02 136.7 23.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.735 -0.211 . . . . 0.0 110.528 -177.204 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.578 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 42.7 mm-40 -52.45 -50.91 61.69 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 123.533 0.521 . . . . 0.0 111.176 -177.83 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 98.0 mt -61.55 -46.29 90.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.57 -173.472 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.512 ' HD2' ' N ' ' A' ' 5' ' ' ARG . 7.4 mpt_? -67.28 -43.02 82.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.584 0.231 . . . . 0.0 111.206 -176.69 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.17 -40.45 82.31 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.3 -179.184 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' A' ' 3' ' ' GLU . 85.1 mt -72.66 -43.76 62.75 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 111.75 0.278 . . . . 0.0 111.75 -178.68 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.429 HD21 HG13 ' A' ' 108' ' ' VAL . 0.9 OUTLIER -71.74 -41.95 67.86 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.849 -174.071 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.6 ttmm -61.33 -32.94 72.82 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.228 -177.512 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.84 -46.53 84.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.961 179.211 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.441 ' HG2' ' OH ' ' A' ' 51' ' ' TYR . 5.5 mm-40 -63.89 -47.31 81.14 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.734 177.858 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -62.82 -32.99 74.29 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.405 -178.681 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.414 ' O ' HG13 ' A' ' 17' ' ' ILE . 46.6 tt0 -65.69 -45.15 83.89 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 176.42 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.648 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -62.27 -46.87 93.02 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.498 -0.858 . . . . 0.0 111.59 175.388 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' ' 11' ' ' GLU . 77.0 mt -60.08 -43.75 93.49 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 C-N-CA 122.525 0.33 . . . . 0.0 110.974 178.749 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 57.0 tptt -54.55 -47.38 73.28 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.601 178.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.527 ' O ' HG23 ' A' ' 21' ' ' VAL . 56.1 mt -68.61 -42.87 83.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.85 179.339 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.648 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 96.1 mt -57.54 -39.78 77.36 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.874 0.368 . . . . 0.0 110.97 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -67.15 -34.1 76.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.271 178.598 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.1 -36.23 77.32 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.964 0.411 . . . . 0.0 110.371 175.508 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 17' ' ' ILE . 82.4 t -59.92 -37.41 71.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.95 178.367 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 98.1 mt -54.97 -46.15 75.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.846 -177.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.512 ' NZ ' ' HB3' ' A' ' 23' ' ' LYS . 8.1 mtpm? -69.11 -43.58 74.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.012 0.434 . . . . 0.0 110.944 178.4 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.529 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . 64.6 mttm -71.81 -21.15 61.74 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.583 -175.333 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.67 -34.9 70.08 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 172.283 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -71.73 -27.46 63.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.404 175.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.529 ' HG2' ' HA ' ' A' ' 24' ' ' LYS . 23.4 mm-40 -64.85 -40.25 94.86 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.565 174.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 81.54 32.81 29.67 Favored Glycine 0 N--CA 1.448 -0.548 0 CA-C-N 115.742 -0.663 . . . . 0.0 112.506 176.214 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -105.52 119.93 40.34 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.145 0.497 . . . . 0.0 110.402 177.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.444 ' HG3' ' HA3' ' A' ' 88' ' ' GLY . 27.8 tt0 -77.02 -32.25 56.93 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.971 -174.406 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -67.87 -40.12 83.65 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.321 0.581 . . . . 0.0 109.711 178.089 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.437 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 35.5 tp10 -60.97 -48.37 82.12 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.032 174.14 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 32.6 mt -57.43 -42.69 82.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.394 -0.821 . . . . 0.0 112.122 -179.113 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.35 -39.97 94.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.876 0.37 . . . . 0.0 111.313 -179.222 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.456 HH11 ' HD2' ' A' ' 35' ' ' ARG . 17.6 ttm105 -65.6 -40.63 92.89 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.4 179.215 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.472 ' O ' HG13 ' A' ' 40' ' ' ILE . 91.6 mt -63.56 -45.61 89.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.269 -179.096 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -56.4 -42.33 77.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.787 -176.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.519 ' O ' ' HG2' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -55.76 -48.91 74.47 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.305 179.919 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -65.73 -31.86 73.09 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.394 -178.087 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' ' 36' ' ' LEU . 71.5 mt -66.02 -46.78 87.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.51 179.062 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.9 t -57.84 -41.0 78.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.364 179.183 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.519 ' HG2' ' O ' ' A' ' 38' ' ' GLN . 30.1 mmmt -60.34 -42.72 96.25 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.699 178.377 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.75 -46.68 65.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.205 -177.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.48 ' O ' HG23 ' A' ' 48' ' ' VAL . 13.3 mm-40 -59.71 -44.98 93.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.97 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.469 ' HA ' ' HD3' ' A' ' 45' ' ' LYS . 61.6 mmtt -67.95 -31.92 72.0 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.654 -0.248 . . . . 0.0 111.53 179.754 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 54.9 tp60 -60.15 -43.4 95.79 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 173.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.29 -46.75 93.27 Favored Glycine 0 N--CA 1.446 -0.638 0 CA-C-N 115.277 -0.874 . . . . 0.0 112.01 175.072 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 44' ' ' GLU . 93.0 t -54.34 -42.02 55.75 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-O 120.694 0.283 . . . . 0.0 111.277 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -59.98 -51.46 69.59 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.112 -179.534 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 29.0 m -70.49 -30.43 42.71 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.505 -178.321 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.466 ' CD1' HD22 ' A' ' 7' ' ' LEU . 14.9 m-85 -69.6 -38.07 77.16 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 116.898 -0.137 . . . . 0.0 111.17 178.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -70.02 -37.6 75.66 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 176.424 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -63.21 -37.89 89.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.966 176.016 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.89 -42.3 66.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.039 177.134 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.93 -39.61 90.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.775 0.322 . . . . 0.0 111.322 -179.417 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -82.48 -0.29 45.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.194 178.666 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -116.73 5.5 13.14 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.267 0.556 . . . . 0.0 109.544 177.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.7 148.4 48.05 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.48 -174.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -108.99 118.64 37.33 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.35 177.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 73.43 138.0 0.06 OUTLIER Pre-proline 0 N--CA 1.468 0.425 0 O-C-N 123.806 0.691 . . . . 0.0 110.586 -176.226 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_endo -56.54 -31.4 86.32 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 123.31 2.673 . . . . 0.0 113.287 -175.548 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -61.94 -42.26 98.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.883 0.373 . . . . 0.0 111.383 -177.622 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -70.63 -35.4 72.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.887 0.375 . . . . 0.0 110.069 -178.738 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.434 HH11 ' HD2' ' A' ' 64' ' ' ARG . 26.4 ttt85 -66.62 -37.73 85.47 Favored 'General case' 0 C--O 1.221 -0.423 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.327 177.319 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -55.87 -41.06 73.83 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 122.651 0.381 . . . . 0.0 110.843 179.806 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 96.8 t -62.37 -50.46 79.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.066 177.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 59.9 mt -67.13 -38.31 80.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -57.22 -44.55 83.85 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.826 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.448 ' NZ ' ' HE2' ' A' ' 107' ' ' HIS . 14.0 tmtt? -59.72 -42.92 94.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.533 178.674 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.487 ' O ' ' HG2' ' A' ' 74' ' ' GLU . 65.3 mt -64.75 -45.18 95.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.664 -179.564 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.0 tt -61.05 -48.91 79.58 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.222 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -61.07 -36.08 78.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.925 178.55 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -66.0 -45.65 80.8 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.676 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.492 ' O ' HG13 ' A' ' 78' ' ' ILE . 69.0 mm-40 -60.81 -39.43 88.93 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.45 -177.647 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -61.86 -35.23 77.68 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 120.848 0.356 . . . . 0.0 110.943 178.332 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.0 tmmt? -68.28 -33.62 74.69 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.02 177.019 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.549 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 53.2 m170 -65.14 -49.25 70.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.378 0.609 . . . . 0.0 110.115 177.335 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.62 ' O ' ' HG3' ' A' ' 82' ' ' LYS . 51.5 mt -63.01 -38.66 82.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.395 -178.204 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -56.94 -39.84 75.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.47 179.763 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.567 ' HZ2' ' HA ' ' A' ' 93' ' ' PHE . 16.9 t-105 -64.69 -52.35 57.7 Favored 'General case' 0 N--CA 1.457 -0.119 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.462 175.654 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 60.2 m-70 -56.72 -33.04 66.11 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.481 0.548 . . . . 0.0 112.481 -175.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.62 ' HG3' ' O ' ' A' ' 78' ' ' ILE . 80.4 mttt -61.87 -48.36 80.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.26 0.552 . . . . 0.0 110.316 177.212 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.71 -31.8 67.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.46 -177.248 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.77 -52.1 66.86 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.398 -0.819 . . . . 0.0 112.751 -174.337 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 57.7 m -99.16 59.8 1.16 Allowed 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -173.192 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 57.4 mttp -69.81 -47.5 62.56 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 106.994 -1.484 . . . . 0.0 106.994 161.689 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -134.89 -71.48 0.48 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 113.735 -1.575 . . . . 0.0 107.874 168.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.444 ' HA3' ' HG3' ' A' ' 30' ' ' GLU . . . 169.56 131.42 1.31 Allowed Glycine 0 N--CA 1.444 -0.828 0 N-CA-C 110.599 -1.0 . . . . 0.0 110.599 178.09 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.49 ' HB3' ' HB2' ' A' ' 92' ' ' GLN . 18.3 m120 -110.61 9.05 23.01 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 117.151 0.475 . . . . 0.0 111.303 -178.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 45.59 -94.68 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 123.852 0.861 . . . . 0.0 113.246 176.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -65.73 -41.36 92.3 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.646 -174.337 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.49 ' HB2' ' HB3' ' A' ' 89' ' ' ASN . 62.4 mt-30 -63.04 -35.2 79.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.66 0.743 . . . . 0.0 109.73 -179.511 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.567 ' HA ' ' HZ2' ' A' ' 80' ' ' TRP . 71.2 t80 -71.42 -50.72 29.07 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.937 -1.028 . . . . 0.0 110.316 178.086 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.15 -44.33 92.1 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.765 -177.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 23.1 t -59.3 -44.36 92.53 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.953 0.406 . . . . 0.0 110.863 -179.294 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 8.5 mp -72.82 -32.12 65.28 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.516 179.218 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 93' ' ' PHE . 49.0 t -61.6 -37.42 77.87 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 175.056 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -58.27 -38.79 77.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.841 0.353 . . . . 0.0 110.764 175.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -67.97 -41.58 82.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.096 179.052 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.549 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 9.4 t-160 -60.35 -43.14 96.77 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.769 176.383 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.428 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 50.9 tp -58.85 -48.5 81.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.111 179.616 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.547 ' O ' ' HD3' ' A' ' 106' ' ' ARG . 32.1 mm-40 -65.32 -39.51 92.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.164 0.507 . . . . 0.0 110.463 178.638 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -57.52 -49.21 77.08 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.09 -0.959 . . . . 0.0 111.008 -178.337 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.404 ' HG2' ' O ' ' A' ' 100' ' ' HIS . 14.8 mm-40 -68.2 -32.63 72.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.465 -177.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.46 ' O ' ' HG3' ' A' ' 109' ' ' GLU . 28.6 mt-30 -61.67 -41.65 97.84 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.395 178.75 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.547 ' HD3' ' O ' ' A' ' 102' ' ' GLN . 3.4 mpt_? -66.43 -32.51 73.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.475 178.65 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.448 ' HE2' ' NZ ' ' A' ' 69' ' ' LYS . 41.1 m170 -63.46 -46.41 86.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.445 174.788 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.429 HG13 HD21 ' A' ' 8' ' ' LEU . 79.2 t -62.44 -41.74 92.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.783 178.3 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.46 ' HG3' ' O ' ' A' ' 105' ' ' GLN . 47.5 mt-10 -59.13 -33.4 70.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.567 178.863 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -69.34 -48.1 62.39 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.901 0.381 . . . . 0.0 110.597 177.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 47.5 mm -72.41 -47.93 49.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.641 -175.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.452 ' HB3' ' HB3' ' A' ' 115' ' ' ASN . 5.5 mm-40 -80.13 -39.33 29.69 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.537 -176.821 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 23.2 pttp 46.65 23.28 0.23 Allowed 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.601 1.16 . . . . 0.0 113.099 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.442 ' HA ' ' HD3' ' A' ' 114' ' ' LYS . 6.4 mmtt -178.16 39.87 0.0 OUTLIER 'General case' 0 C--O 1.234 0.257 0 C-N-CA 122.936 0.495 . . . . 0.0 110.355 177.125 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.452 ' HB3' ' HB3' ' A' ' 112' ' ' GLU . 39.9 t30 . . . . . 0 C--O 1.247 0.967 0 CA-C-O 118.958 -0.544 . . . . 0.0 110.115 -179.118 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.668 ' HA ' ' HE2' ' A' ' 113' ' ' LYS . 54.4 mtm . . . . . 0 N--CA 1.483 1.204 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -95.47 77.88 3.37 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.452 176.098 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -78.44 -67.53 0.73 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.692 -178.719 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.454 HD22 ' HA ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -135.22 113.13 11.02 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.981 -0.378 . . . . 0.0 109.981 -178.479 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 64.8 mtp85 -64.38 -44.83 90.12 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.92 -175.136 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -60.96 -35.08 75.82 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.714 -174.704 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.413 ' HG ' HD12 ' A' ' 4' ' ' LEU . 78.6 mt -64.92 -27.93 69.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.642 -178.75 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 84.3 mt -60.04 -36.69 77.85 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.998 0.428 . . . . 0.0 111.016 179.555 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.604 ' HA ' ' HE3' ' A' ' 9' ' ' LYS . 0.4 OUTLIER -61.76 -34.76 76.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.974 -0.557 . . . . 0.0 112.005 -174.543 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.77 -49.17 74.01 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 121.011 -0.276 . . . . 0.0 111.654 -174.203 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -70.31 -43.77 69.65 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.712 0.292 . . . . 0.0 110.711 178.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 73.4 mm-40 -58.57 -41.83 86.59 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.231 179.412 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.439 ' HB2' ' HE2' ' A' ' 9' ' ' LYS . 25.1 tt0 -69.4 -42.87 74.52 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.611 -178.44 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.563 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -58.88 -46.61 93.33 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.788 -0.72 . . . . 0.0 111.901 178.564 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.493 ' HA ' HD12 ' A' ' 18' ' ' LEU . 79.2 mt -60.93 -39.2 81.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.011 0.434 . . . . 0.0 110.871 177.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.7 tttm -64.93 -40.97 95.87 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.854 -177.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 65.3 mt -69.38 -36.46 72.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.528 178.291 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 97.0 mt -57.8 -36.98 72.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.979 178.27 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? -62.55 -37.26 85.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.156 179.615 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -66.55 -34.83 78.77 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.175 0.512 . . . . 0.0 110.334 179.031 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.494 HG21 HD11 ' A' ' 40' ' ' ILE . 58.8 t -64.35 -38.89 83.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.649 179.294 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 96.8 mt -61.13 -39.26 89.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.074 0.464 . . . . 0.0 110.589 177.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.521 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 92.7 mttt -65.59 -37.85 87.84 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.738 179.149 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 35.4 mmtm -83.15 -18.46 39.37 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.64 -177.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.446 ' HB1' ' HB2' ' A' ' 94' ' ' ALA . . . -67.45 -39.38 85.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.833 178.454 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.521 ' HG2' ' O ' ' A' ' 23' ' ' LYS . 65.2 pttt -71.96 -28.58 63.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.326 178.417 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -72.57 -33.38 66.73 Favored 'General case' 0 C--O 1.231 0.105 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 175.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 71.29 45.15 50.11 Favored Glycine 0 N--CA 1.448 -0.507 0 CA-C-N 115.771 -0.649 . . . . 0.0 113.614 171.54 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -126.42 130.18 50.2 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.013 174.23 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.558 ' HA ' ' HB2' ' A' ' 33' ' ' LEU . 42.1 tt0 -79.84 -18.95 49.53 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.798 -174.43 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -58.65 -48.3 81.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.021 0.438 . . . . 0.0 110.091 -178.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -72.93 -44.97 60.57 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.991 175.3 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.558 ' HB2' ' HA ' ' A' ' 30' ' ' GLU . 47.4 mt -57.19 -45.17 83.98 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.046 -0.524 . . . . 0.0 112.038 -176.102 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.53 -45.49 93.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.653 -0.249 . . . . 0.0 111.277 -177.587 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -66.44 -44.32 83.16 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.837 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.519 ' O ' HG13 ' A' ' 40' ' ' ILE . 92.3 mt -60.01 -42.3 94.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.187 177.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.423 ' O ' HG23 ' A' ' 41' ' ' VAL . 65.0 t30 -61.36 -40.77 95.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.059 177.573 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -63.36 -38.77 92.43 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.444 178.23 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -65.04 -36.83 85.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.64 176.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.519 HG13 ' O ' ' A' ' 36' ' ' LEU . 82.1 mt -62.27 -47.31 93.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.474 177.362 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 37' ' ' ASN . 92.8 t -53.46 -53.09 26.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.327 179.194 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.427 ' HB3' ' HE2' ' A' ' 42' ' ' LYS . 48.2 mtpt -63.97 -39.44 94.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.771 -179.512 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.45 -46.5 79.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.359 -178.093 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.451 ' O ' HG23 ' A' ' 48' ' ' VAL . 36.4 mt-10 -69.69 -38.83 77.13 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.005 -178.308 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.518 ' HG3' HD13 ' A' ' 78' ' ' ILE . 59.2 mttm -66.12 -32.74 74.38 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 121.063 -0.255 . . . . 0.0 111.232 177.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 53.1 tp60 -63.61 -39.83 95.36 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 174.488 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.82 -44.99 93.93 Favored Glycine 0 N--CA 1.447 -0.596 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.398 174.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 44' ' ' GLU . 78.6 t -55.53 -39.86 56.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.708 0.29 . . . . 0.0 110.832 176.772 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.5 tmtt? -63.09 -49.52 74.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.674 -179.305 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 16.1 m -69.6 -32.69 53.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 C-N-CA 120.756 -0.378 . . . . 0.0 111.356 -179.38 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -67.56 -42.98 81.74 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.989 -0.284 . . . . 0.0 110.434 176.363 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.587 ' HA ' ' HE2' ' A' ' 52' ' ' LYS . 0.7 OUTLIER -59.55 -43.53 93.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.895 0.379 . . . . 0.0 111.105 176.393 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -67.04 -48.5 68.14 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.926 -178.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.0 -34.92 73.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.994 -176.425 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.58 -48.28 78.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.838 0.351 . . . . 0.0 111.498 -177.516 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -72.25 -21.94 61.31 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.124 -177.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -96.6 0.37 49.84 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.395 178.358 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.1 127.67 33.34 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.731 -179.517 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -78.4 -23.28 46.83 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.234 -179.166 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -105.36 117.79 57.39 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-O 120.804 0.335 . . . . 0.0 110.79 179.601 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -64.56 -34.68 51.57 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 123.211 2.607 . . . . 0.0 113.299 -178.262 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -60.66 -43.57 97.47 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.116 0.484 . . . . 0.0 110.048 -179.187 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 1.045 ' HA ' ' HE3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -71.18 -32.51 68.97 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.493 179.295 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -63.91 -40.31 96.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.615 178.109 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -39.33 84.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.517 178.43 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 85.9 t -62.95 -45.04 99.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.499 176.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 65.6 mt -65.33 -38.21 82.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.491 178.27 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -61.59 -40.3 94.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.719 177.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -59.44 -45.11 92.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.788 176.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.463 ' O ' ' HB2' ' A' ' 74' ' ' GLU . 69.9 mt -70.4 -41.74 78.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.52 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.434 HD21 ' HG2' ' A' ' 52' ' ' LYS . 1.4 tm? -55.76 -48.67 74.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.521 179.498 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.81 -40.98 97.92 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.545 -178.298 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.441 ' HB3' ' CE1' ' A' ' 107' ' ' HIS . 24.7 t0 -72.17 -42.89 65.36 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.118 -177.646 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.463 ' HB2' ' O ' ' A' ' 70' ' ' ILE . 1.7 tp10 -63.56 -41.31 98.41 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.636 -169.472 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.483 ' HA ' HD12 ' A' ' 78' ' ' ILE . 22.0 mm-40 -64.07 -35.48 80.89 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.877 0.37 . . . . 0.0 110.726 176.022 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -64.18 -33.11 75.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.372 179.689 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.586 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 64.6 m170 -62.31 -48.08 81.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.327 0.584 . . . . 0.0 110.134 176.353 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.518 HD13 ' HG3' ' A' ' 45' ' ' LYS . 52.7 mt -59.82 -48.85 86.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 114.802 -1.09 . . . . 0.0 110.701 -179.222 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -63.53 -32.97 74.59 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.61 177.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.413 ' HA ' ' CE3' ' A' ' 80' ' ' TRP . 4.3 t-105 -67.89 -49.06 64.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.505 -179.04 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -58.98 -36.74 75.37 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.686 177.111 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -69.3 -43.18 74.33 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.09 0.471 . . . . 0.0 110.49 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.63 -27.14 62.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.852 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.1 -22.76 42.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.975 -0.557 . . . . 0.0 112.275 -175.745 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 27.3 p -60.37 -25.78 66.13 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.956 -177.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -104.45 -3.97 23.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.563 0.22 . . . . 0.0 111.321 179.373 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 85.8 mm-40 -107.22 -46.5 3.87 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -170.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -121.31 138.56 12.57 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 119.713 -1.232 . . . . 0.0 114.291 -171.078 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -77.43 -176.83 4.38 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 171.412 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -45.5 -62.07 1.43 Allowed 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 -175.54 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -65.52 -37.09 85.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.983 0.421 . . . . 0.0 111.252 -177.391 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -68.1 -42.26 80.57 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.51 -178.47 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -61.92 -42.39 99.04 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.23 175.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.446 ' HB2' ' HB1' ' A' ' 25' ' ' ALA . . . -58.22 -36.95 73.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.549 175.372 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 37.6 m -65.06 -35.99 82.92 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.66 179.107 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 9.8 mp -67.72 -33.84 75.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.427 176.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.414 HG13 HD22 ' A' ' 18' ' ' LEU . 61.5 t -65.31 -39.63 85.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.02 175.567 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.444 ' HG3' ' O ' ' A' ' 94' ' ' ALA . 52.1 mt-30 -64.03 -36.13 83.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.95 0.405 . . . . 0.0 110.421 177.485 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -63.39 -41.85 98.78 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.04 174.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.586 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 3.1 t-160 -60.05 -42.26 94.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.223 177.475 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.487 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 3.0 mm? -57.56 -49.55 75.99 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.593 -179.747 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 86.9 mm-40 -64.28 -36.34 83.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.41 0.624 . . . . 0.0 110.501 -178.427 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -65.52 -47.24 76.64 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.794 -179.274 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.413 ' O ' HG23 ' A' ' 108' ' ' VAL . 14.5 mm-40 -70.95 -30.77 67.16 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.102 -178.576 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.571 ' O ' ' HG3' ' A' ' 109' ' ' GLU . 95.0 mt-30 -61.11 -36.28 79.3 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.971 0.415 . . . . 0.0 110.194 177.133 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.41 ' HD2' ' OE1' ' A' ' 109' ' ' GLU . 13.5 mmm180 -67.5 -39.28 85.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.527 176.012 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.656 ' O ' HG13 ' A' ' 111' ' ' ILE . 54.6 m170 -61.29 -45.62 93.72 Favored 'General case' 0 CA--C 1.521 -0.136 0 CA-C-O 121.077 0.465 . . . . 0.0 110.159 174.551 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 104' ' ' GLU . 50.9 t -56.56 -39.4 62.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.643 179.661 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.571 ' HG3' ' O ' ' A' ' 105' ' ' GLN . 49.9 mt-10 -64.74 -35.17 80.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.916 0.389 . . . . 0.0 111.055 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.98 -37.74 75.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.812 176.416 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.656 HG13 ' O ' ' A' ' 107' ' ' HIS . 15.2 mt -82.52 -69.73 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.624 -175.747 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -104.36 67.93 0.86 Allowed 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 121.933 0.873 . . . . 0.0 111.503 -173.397 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 1.0 ' H ' ' HD3' ' A' ' 113' ' ' LYS . 0.0 OUTLIER -74.57 135.22 42.09 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.177 -0.92 . . . . 0.0 108.867 169.089 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.42 ' HB2' ' O ' ' A' ' 113' ' ' LYS . 29.3 mmmt 67.09 89.38 0.1 Allowed 'General case' 0 N--CA 1.464 0.266 0 O-C-N 123.782 0.676 . . . . 0.0 110.09 -171.198 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 . . . . . 0 C--O 1.249 1.054 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.002 -175.669 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ttt . . . . . 0 N--CA 1.48 1.047 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -141.32 -72.35 0.34 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.013 0.435 . . . . 0.0 110.447 -179.254 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -76.28 146.07 39.2 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.057 -178.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.0 mp -92.37 -28.57 16.82 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.48 -173.438 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 21.5 tpt180 -61.69 -35.83 79.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.127 0.489 . . . . 0.0 110.464 -178.056 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.497 ' CD ' ' HZ1' ' A' ' 9' ' ' LYS . 15.7 mm-40 -66.02 -37.2 85.28 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.52 177.76 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 49.2 mt -68.59 -42.46 78.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.645 -178.443 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.761 HD11 HG13 ' A' ' 108' ' ' VAL . 50.7 tp -60.29 -34.71 74.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.45 -177.635 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.497 ' HZ1' ' CD ' ' A' ' 6' ' ' GLU . 36.3 mtmm -64.11 -32.73 74.41 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.476 -178.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.46 -44.62 92.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.901 0.381 . . . . 0.0 110.832 178.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -64.59 -42.3 95.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.716 178.33 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 76.6 mm-40 -65.48 -36.73 84.73 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.113 178.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.466 ' O ' HG13 ' A' ' 17' ' ' ILE . 24.6 tp60 -61.93 -44.36 96.93 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 177.048 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.545 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -59.5 -46.22 94.29 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.645 -0.788 . . . . 0.0 111.919 176.095 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.462 HG23 HD12 ' A' ' 101' ' ' LEU . 85.9 mt -57.14 -44.94 84.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.907 0.384 . . . . 0.0 111.154 177.755 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -60.16 -44.91 94.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.712 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.466 HG13 ' O ' ' A' ' 13' ' ' GLN . 59.6 mt -68.95 -36.11 72.41 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.729 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 80.9 mt -57.32 -40.09 77.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.194 179.543 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -66.76 -35.21 79.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.231 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -72.68 -34.79 67.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.574 -0.284 . . . . 0.0 110.509 177.295 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.536 HG21 HD11 ' A' ' 40' ' ' ILE . 70.5 t -64.12 -40.83 90.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.608 176.262 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 87.3 mt -55.42 -39.11 69.83 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-O 121.057 0.456 . . . . 0.0 110.586 176.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.541 ' O ' ' HG3' ' A' ' 27' ' ' GLU . 95.6 mttt -66.95 -46.97 73.07 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.466 178.381 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.7 ' HE2' ' HG2' ' A' ' 32' ' ' GLU . 38.2 mmtm -68.98 -31.79 70.89 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.349 -0.387 . . . . 0.0 112.015 -177.111 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.66 -35.34 72.8 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.036 0.446 . . . . 0.0 110.217 175.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -70.76 -38.16 73.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.648 176.475 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.541 ' HG3' ' O ' ' A' ' 23' ' ' LYS . 43.8 mt-10 -69.46 -37.96 77.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.728 177.618 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 88.22 30.73 15.93 Favored Glycine 0 N--CA 1.445 -0.7 0 C-N-CA 121.062 -0.59 . . . . 0.0 112.084 179.506 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.702 ' O ' ' HB2' ' A' ' 33' ' ' LEU . 20.1 t70 -100.55 109.24 21.32 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 179.617 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -77.69 -20.78 53.05 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.512 -174.017 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -69.81 -50.64 40.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.646 0.26 . . . . 0.0 110.999 -176.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.7 ' HG2' ' HE2' ' A' ' 24' ' ' LYS . 5.6 tp10 -73.97 -38.49 64.16 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.985 0.421 . . . . 0.0 109.884 176.567 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.702 ' HB2' ' O ' ' A' ' 29' ' ' ASP . 0.8 OUTLIER -58.75 -46.23 87.91 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.996 -176.278 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.23 -45.08 93.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.788 0.328 . . . . 0.0 110.528 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -59.07 -47.93 83.44 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.033 177.3 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.486 ' O ' HG13 ' A' ' 40' ' ' ILE . 81.0 mt -63.04 -44.56 95.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.559 178.579 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -56.45 -46.66 80.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.123 176.661 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.552 ' HA ' ' OE1' ' A' ' 38' ' ' GLN . 7.4 mm-40 -59.8 -44.84 93.76 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 115.296 -0.865 . . . . 0.0 111.423 178.035 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -64.67 -35.08 79.89 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.404 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.536 HD11 HG21 ' A' ' 21' ' ' VAL . 63.6 mt -62.65 -49.55 83.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.619 0.247 . . . . 0.0 110.476 177.523 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.647 HG13 HG23 ' A' ' 78' ' ' ILE . 84.4 t -54.63 -44.78 71.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.997 0.427 . . . . 0.0 110.676 178.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.6 mtpm? -63.42 -40.53 97.42 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.352 179.116 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.55 -46.3 66.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.181 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.473 ' O ' HG23 ' A' ' 48' ' ' VAL . 5.3 mm-40 -57.74 -47.08 83.46 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.761 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.566 ' HG3' HD13 ' A' ' 78' ' ' ILE . 56.6 mttm -69.97 -32.35 70.53 Favored 'General case' 0 CA--C 1.52 -0.197 0 N-CA-C 111.968 0.359 . . . . 0.0 111.968 -179.015 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 48.2 tp60 -64.61 -38.39 90.84 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 175.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -65.3 -47.06 83.91 Favored Glycine 0 N--CA 1.447 -0.608 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.448 174.042 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 44' ' ' GLU . 73.6 t -54.12 -41.85 52.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.008 0.432 . . . . 0.0 110.358 176.56 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -59.15 -51.49 69.78 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.326 -178.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 8.0 m -71.9 -32.0 42.84 Favored 'Isoleucine or valine' 0 C--O 1.237 0.418 0 N-CA-C 112.254 0.465 . . . . 0.0 112.254 -178.316 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -69.84 -51.23 35.27 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.498 0.19 . . . . 0.0 111.099 177.232 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -57.67 -36.56 72.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.158 -0.473 . . . . 0.0 109.999 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -56.9 -49.27 76.09 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.481 176.323 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.84 -35.62 64.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.883 -178.448 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.06 -46.12 79.05 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -173.055 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -81.27 -4.28 55.08 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.735 0.303 . . . . 0.0 111.595 -175.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 39.0 mtmt -118.32 17.92 13.78 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.135 0.493 . . . . 0.0 110.603 177.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -84.06 130.95 34.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.488 177.192 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 60.9 mtt180 -98.67 22.65 9.69 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.411 -176.438 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.414 ' O ' ' HB2' ' A' ' 64' ' ' ARG . 26.0 t-20 -141.18 118.06 7.6 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.197 176.735 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -63.35 -32.55 72.15 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.99 2.46 . . . . 0.0 113.343 -175.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -66.38 -43.88 84.67 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.104 0.478 . . . . 0.0 110.466 -176.477 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.403 ' O ' HG13 ' A' ' 67' ' ' ILE . 62.9 mttm -75.81 -33.71 60.13 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.215 176.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.414 ' HB2' ' O ' ' A' ' 60' ' ' ASN . 2.1 tmt_? -59.24 -43.42 92.4 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.359 -178.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -63.58 -42.18 98.32 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.028 179.499 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 91.8 t -59.52 -49.02 85.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.751 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 63' ' ' LYS . 63.1 mt -60.33 -40.9 85.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.973 -179.087 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -65.79 -44.24 86.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.662 -0.245 . . . . 0.0 111.327 -178.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -59.55 -44.64 93.19 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.715 0.293 . . . . 0.0 110.906 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.491 HG23 ' ND1' ' A' ' 107' ' ' HIS . 38.5 mt -68.74 -38.02 78.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.048 178.102 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.404 HD22 ' HA ' ' A' ' 71' ' ' LEU . 0.8 OUTLIER -55.98 -49.47 73.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.35 179.129 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -67.59 -35.43 78.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.612 179.457 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.463 ' HB3' ' CE1' ' A' ' 107' ' ' HIS . 0.4 OUTLIER -63.26 -43.8 96.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.286 0.565 . . . . 0.0 110.296 178.593 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -62.49 -41.58 98.89 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.133 -0.939 . . . . 0.0 110.903 -174.505 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.549 ' HA ' HD12 ' A' ' 78' ' ' ILE . 55.7 mm-40 -66.73 -34.86 78.77 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.878 0.37 . . . . 0.0 110.888 174.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -60.63 -35.78 77.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.415 178.468 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.509 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 44.4 m170 -63.35 -47.92 80.14 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.752 0.786 . . . . 0.0 109.735 177.103 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.647 HG23 HG13 ' A' ' 41' ' ' VAL . 63.7 mt -60.19 -38.04 75.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 114.394 -1.276 . . . . 0.0 111.116 -178.711 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -55.79 -40.11 72.21 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.805 177.239 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.422 ' CZ2' HD22 ' A' ' 96' ' ' LEU . 19.3 t-105 -70.13 -54.86 11.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.921 177.534 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 49.8 m-70 -56.29 -41.28 75.64 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 111.793 0.294 . . . . 0.0 111.793 -177.245 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 46.6 tttm -63.99 -40.2 95.84 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.987 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -73.39 -33.34 64.96 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 178.338 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.05 -19.91 58.21 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 -169.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.4 p -79.01 84.17 5.04 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.372 0.606 . . . . 0.0 111.912 -176.118 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -144.51 153.65 42.07 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.989 176.158 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 7.3 mp0 -66.03 122.12 16.67 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.911 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 109.75 8.84 25.73 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 121.018 -0.61 . . . . 0.0 112.621 179.32 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -119.9 117.75 28.94 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.672 0.272 . . . . 0.0 110.499 179.182 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -155.72 -53.37 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.315 0.578 . . . . 0.0 110.071 177.366 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.432 ' HG3' ' H ' ' A' ' 91' ' ' GLU . 0.0 OUTLIER -62.06 -46.7 87.95 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.512 -179.893 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.409 ' H ' ' CD ' ' A' ' 91' ' ' GLU . 5.2 tp-100 -67.47 -45.68 75.23 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.388 0.613 . . . . 0.0 110.053 178.854 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.65 ' O ' HG23 ' A' ' 97' ' ' VAL . 51.5 t80 -57.07 -43.62 82.25 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.02 -0.991 . . . . 0.0 111.332 -177.58 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.64 -45.55 81.53 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 -175.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.585 ' O ' ' HG2' ' A' ' 98' ' ' GLN . 39.0 m -65.0 -35.92 82.74 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.426 -178.014 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.422 HD22 ' CZ2' ' A' ' 80' ' ' TRP . 10.7 mp -74.66 -32.63 62.31 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -179.122 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 93' ' ' PHE . 84.2 t -61.5 -35.07 64.49 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -175.174 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.585 ' HG2' ' O ' ' A' ' 95' ' ' SER . 13.8 pt20 -56.78 -32.06 65.26 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 116.773 -0.194 . . . . 0.0 111.295 -176.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -67.53 -41.34 84.51 Favored 'General case' 0 C--O 1.226 -0.176 0 CA-C-N 116.879 -0.146 . . . . 0.0 111.07 178.281 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.509 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 9.8 t-160 -61.45 -38.8 88.51 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 177.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.545 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 46.7 tp -58.86 -48.77 80.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.828 178.336 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -68.93 -37.06 78.66 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 121.084 0.468 . . . . 0.0 111.036 178.192 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -59.25 -49.29 78.4 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.51 -177.487 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.53 ' O ' HG23 ' A' ' 108' ' ' VAL . 20.8 mm-40 -66.44 -29.59 69.76 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.998 -0.281 . . . . 0.0 110.638 -178.228 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.545 ' HG3' ' O ' ' A' ' 101' ' ' LEU . 77.2 mt-30 -63.54 -36.49 83.95 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 174.613 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.441 ' HD3' ' HA ' ' A' ' 106' ' ' ARG . 27.8 mmt180 -72.76 -32.79 65.9 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.34 176.08 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.491 ' ND1' HG23 ' A' ' 70' ' ' ILE . 15.2 m170 -59.95 -44.93 94.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.442 0.639 . . . . 0.0 109.544 171.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.761 HG13 HD11 ' A' ' 8' ' ' LEU . 87.0 t -62.92 -36.56 76.17 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.322 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.054 176.734 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.518 ' HG2' ' O ' ' A' ' 105' ' ' GLN . 19.0 mm-40 -56.18 -35.06 66.82 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.081 0.467 . . . . 0.0 111.306 179.104 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.438 ' O ' ' HE2' ' A' ' 113' ' ' LYS . 65.8 mm-40 -71.61 -35.14 70.38 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.337 178.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 25.8 mt -86.08 -48.94 15.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.153 0.501 . . . . 0.0 111.069 -176.113 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.518 ' HA ' ' ND2' ' A' ' 115' ' ' ASN . 53.3 tp10 -81.26 46.07 0.9 Allowed 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.865 -176.075 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.438 ' HE2' ' O ' ' A' ' 110' ' ' GLU . 64.7 mttm -80.71 -48.22 12.86 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 173.349 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 50.8 mtpt -140.99 90.38 2.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.746 177.149 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.518 ' ND2' ' HA ' ' A' ' 112' ' ' GLU . 92.5 m-20 . . . . . 0 C--O 1.246 0.874 0 CA-C-O 118.064 -0.969 . . . . 0.0 109.659 179.131 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.741 ' HG2' ' H ' ' A' ' 2' ' ' ASP . 15.4 ttt . . . . . 0 N--CA 1.481 1.095 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.741 ' H ' ' HG2' ' A' ' 1' ' ' MET . 6.6 t0 -71.74 80.08 0.85 Allowed 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.086 0.47 . . . . 0.0 109.808 177.644 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.75 ' HG3' ' HB2' ' A' ' 5' ' ' ARG . 11.0 pt-20 -149.81 -20.64 0.26 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.694 -174.503 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 88.9 mt 61.32 32.34 19.21 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 121.503 0.668 . . . . 0.0 110.118 -178.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.75 ' HB2' ' HG3' ' A' ' 3' ' ' GLU . 17.7 ttt85 -59.54 -40.52 87.47 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.744 -1.116 . . . . 0.0 111.419 -174.502 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -62.26 -43.23 99.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.404 -177.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 89.8 mt -71.69 -42.95 66.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.178 -178.206 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.851 HD21 HG21 ' A' ' 111' ' ' ILE . 80.1 mt -66.3 -31.94 73.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.233 -176.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -60.13 -34.75 73.95 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.706 -178.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.554 ' HB1' ' HA2' ' A' ' 47' ' ' GLY . . . -71.92 -46.94 55.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.559 -178.14 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -63.09 -39.02 93.46 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.158 0.504 . . . . 0.0 109.701 177.667 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 77.1 mm-40 -65.41 -33.19 75.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.494 177.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 59.2 tp60 -64.27 -46.5 83.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.301 -179.582 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.547 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -59.4 -45.83 94.86 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.747 -0.739 . . . . 0.0 111.897 177.788 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.459 ' HA ' HD12 ' A' ' 18' ' ' LEU . 79.9 mt -58.37 -41.15 80.65 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-O 120.733 0.301 . . . . 0.0 110.961 178.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.53 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 57.5 tttm -64.65 -47.07 79.86 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 121.029 -0.269 . . . . 0.0 110.56 179.665 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.518 ' O ' HG23 ' A' ' 21' ' ' VAL . 65.7 mt -62.94 -34.17 64.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.558 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 83.6 mt -57.42 -42.64 82.77 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.03 0.443 . . . . 0.0 110.42 174.764 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.424 ' NZ ' ' HB3' ' A' ' 19' ' ' LYS . 8.7 mtpm? -67.02 -38.45 85.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.867 178.377 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.53 ' HG2' ' O ' ' A' ' 16' ' ' LYS . 53.8 mm-40 -62.82 -43.26 99.28 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 121.134 0.492 . . . . 0.0 109.859 178.201 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 17' ' ' ILE . 88.7 t -62.38 -40.79 89.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.122 -179.649 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.524 HD21 ' HB ' ' A' ' 97' ' ' VAL . 82.8 mt -55.11 -40.44 70.48 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.147 0.499 . . . . 0.0 111.144 179.528 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -66.87 -45.07 79.26 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.845 -178.224 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.3 tppt? -77.41 -28.44 52.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.934 0.397 . . . . 0.0 111.246 -178.365 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.73 -32.03 73.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.517 178.051 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -71.5 -32.0 67.73 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 176.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -65.65 -42.81 90.99 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.929 174.215 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 84.36 42.13 7.59 Favored Glycine 0 N--CA 1.449 -0.478 0 CA-C-N 115.735 -0.666 . . . . 0.0 112.636 176.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -91.75 111.21 22.64 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.021 -0.362 . . . . 0.0 110.021 178.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -61.7 -39.52 91.77 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.689 -177.179 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -68.95 -48.16 63.9 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.026 -173.709 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.472 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 42.2 mt-10 -71.55 -37.69 71.08 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.045 178.829 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 33' ' ' LEU . 7.1 mt -58.78 -36.41 74.36 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 111.613 0.227 . . . . 0.0 111.613 179.183 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.91 -42.24 98.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.166 0.508 . . . . 0.0 110.387 177.245 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 23.0 ttm180 -71.29 -35.35 71.28 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.428 177.036 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' A' ' 32' ' ' GLU . 81.1 mt -62.72 -39.83 95.26 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.64 -0.254 . . . . 0.0 110.827 176.361 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.454 ' O ' HG23 ' A' ' 41' ' ' VAL . 3.5 t-20 -57.43 -45.28 84.85 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 174.254 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.428 ' HA ' ' OE1' ' A' ' 38' ' ' GLN . 14.4 mm-40 -62.85 -44.6 95.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.991 176.175 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -61.71 -42.98 99.67 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.205 -177.422 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 36' ' ' LEU . 65.8 mt -59.62 -45.14 94.47 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-O 120.634 0.254 . . . . 0.0 110.468 179.029 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 37' ' ' ASN . 84.8 t -59.2 -46.33 92.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.268 179.129 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -64.11 -36.71 84.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.505 178.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.26 -48.2 57.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.323 -177.174 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.609 ' O ' HG23 ' A' ' 48' ' ' VAL . 7.8 mm-40 -62.83 -44.7 95.44 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.097 -0.502 . . . . 0.0 109.974 179.537 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.467 ' HA ' ' HD3' ' A' ' 45' ' ' LYS . 55.9 mmtt -60.28 -33.94 73.05 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.822 178.412 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 50.1 tp60 -60.75 -43.6 97.76 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 177.744 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.554 ' HA2' ' HB1' ' A' ' 10' ' ' ALA . . . -70.15 -46.39 50.91 Favored Glycine 0 N--CA 1.448 -0.553 0 CA-C-N 115.483 -0.78 . . . . 0.0 112.646 177.211 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.609 HG23 ' O ' ' A' ' 44' ' ' GLU . 48.7 t -59.53 -41.92 86.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 122.874 -0.192 . . . . 0.0 111.447 -176.812 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 48.7 tttp -56.64 -49.57 74.63 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.29 -176.552 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 24.3 m -70.65 -35.04 59.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -69.37 -36.68 77.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.506 0.193 . . . . 0.0 111.0 177.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -56.62 -43.17 79.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.712 0.291 . . . . 0.0 110.81 176.543 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -68.57 -45.99 70.62 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.469 176.275 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.7 -33.03 74.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.525 -0.761 . . . . 0.0 112.494 -174.362 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.53 -42.5 78.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.025 0.441 . . . . 0.0 111.728 -177.688 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -99.36 14.39 29.85 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.976 -178.366 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -127.78 15.65 6.94 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 174.612 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.52 141.92 53.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.921 -1.036 . . . . 0.0 111.467 -177.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 83.2 mtm180 -79.85 -25.29 40.8 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.897 -178.123 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.554 ' HB2' ' HG2' ' A' ' 63' ' ' LYS . 16.1 m120 -128.43 135.25 27.27 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.369 -177.228 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -57.7 -38.26 93.82 Favored 'Trans proline' 0 CA--C 1.53 0.306 0 C-N-CA 122.79 2.327 . . . . 0.0 112.611 178.605 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -64.49 -35.94 82.57 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 121.021 0.439 . . . . 0.0 110.6 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.554 ' HG2' ' HB2' ' A' ' 60' ' ' ASN . 72.8 mmtt -71.27 -33.73 70.03 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.406 -178.625 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 23.5 ttt180 -64.27 -39.32 93.69 Favored 'General case' 0 C--O 1.227 -0.12 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 175.438 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -55.44 -44.06 75.96 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.146 177.1 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 87.7 t -65.28 -50.89 70.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.875 177.452 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 63' ' ' LYS . 76.2 mt -60.64 -43.74 95.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.234 -177.541 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -66.4 -39.86 89.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.753 0.311 . . . . 0.0 110.684 -178.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -59.89 -42.45 93.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.219 0.533 . . . . 0.0 109.601 177.017 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 45.6 mt -70.61 -38.08 72.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.832 176.106 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 16.2 mt -55.6 -39.58 70.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.854 0.359 . . . . 0.0 111.53 176.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -68.42 -41.19 80.73 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.826 174.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.435 ' HB3' ' CE1' ' A' ' 107' ' ' HIS . 0.2 OUTLIER -71.81 -47.38 53.68 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.635 -0.711 . . . . 0.0 112.216 -174.74 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.588 ' HB3' HG22 ' A' ' 48' ' ' VAL . 1.2 tp10 -60.93 -36.84 80.38 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.952 -172.349 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.604 ' OE2' HG11 ' A' ' 48' ' ' VAL . 65.3 mm-40 -69.45 -41.49 76.18 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.275 0.559 . . . . 0.0 110.388 173.212 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -59.72 -34.33 72.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.681 179.389 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.582 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 62.5 m170 -64.13 -47.89 78.21 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.485 177.321 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.417 HG13 ' O ' ' A' ' 74' ' ' GLU . 62.9 mt -58.59 -49.75 81.37 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.78 -178.088 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -63.79 -34.2 77.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.806 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 30.6 t-105 -61.13 -56.56 19.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.561 179.126 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.454 ' HE1' HG22 ' A' ' 97' ' ' VAL . 50.1 m-70 -60.08 -46.4 89.72 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -179.292 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.46 ' HA ' ' HD2' ' A' ' 82' ' ' LYS . 39.3 tptt -62.83 -44.01 97.27 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.769 -0.372 . . . . 0.0 111.133 -174.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.34 -36.07 82.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.893 0.378 . . . . 0.0 111.307 -178.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.15 -24.26 57.93 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.019 0.438 . . . . 0.0 111.311 -179.326 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 19.3 m -90.41 23.4 2.98 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.931 -177.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -71.98 -17.21 62.07 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.214 -178.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -117.43 -41.92 2.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.006 177.349 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 104.72 97.18 2.46 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.426 -0.892 . . . . 0.0 113.075 175.635 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -122.25 167.87 12.71 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 178.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -111.02 -74.36 0.65 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.836 0.351 . . . . 0.0 111.365 -178.38 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -69.41 -40.06 77.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.883 0.373 . . . . 0.0 111.02 -175.58 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -64.34 -34.83 79.05 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.234 0.54 . . . . 0.0 109.933 178.099 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -67.98 -38.68 83.01 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.221 176.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.24 -33.42 75.78 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.073 178.192 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 21.5 t -63.64 -33.08 74.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.36 178.718 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 9.8 mp -69.95 -35.05 74.2 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.543 177.14 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.524 ' HB ' HD21 ' A' ' 22' ' ' LEU . 39.9 t -65.24 -34.54 71.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.229 178.039 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -56.4 -45.1 80.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.07 179.623 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -67.89 -37.73 82.12 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.057 0.456 . . . . 0.0 110.256 178.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.582 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 3.9 t-160 -60.15 -43.09 96.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.861 177.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.497 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 51.7 tp -62.93 -48.32 79.44 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.937 -179.528 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -58.52 -38.96 78.81 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 121.449 0.642 . . . . 0.0 110.039 177.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -65.19 -49.39 69.94 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.814 -1.085 . . . . 0.0 111.85 -178.564 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.435 ' O ' ' HB2' ' A' ' 107' ' ' HIS . 27.2 mm-40 -65.44 -26.59 68.03 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.585 0.231 . . . . 0.0 110.712 -177.709 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.497 ' HG3' ' O ' ' A' ' 101' ' ' LEU . 29.1 mt-30 -61.53 -41.03 96.73 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.219 175.449 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 64.0 mtt180 -72.55 -29.72 63.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.942 176.252 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.539 ' O ' HG12 ' A' ' 111' ' ' ILE . 14.7 m170 -57.26 -45.38 84.08 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 173.265 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 104' ' ' GLU . 28.1 t -68.83 -35.77 71.05 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.141 176.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.401 ' HG3' ' O ' ' A' ' 105' ' ' GLN . 36.4 mt-10 -55.75 -45.94 77.96 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 111.868 0.321 . . . . 0.0 111.868 -177.548 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.57 -28.87 67.34 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.343 179.567 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.851 HG21 HD21 ' A' ' 8' ' ' LEU . 36.0 mm -64.22 -65.94 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.773 0.32 . . . . 0.0 110.79 179.426 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -112.33 -113.58 0.33 Allowed 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.184 -176.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -151.11 98.13 2.53 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.641 -177.378 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp 46.73 84.02 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.505 0.722 . . . . 0.0 112.872 177.001 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.418 ' HB2' ' CG1' ' A' ' 108' ' ' VAL . 5.4 m-20 . . . . . 0 C--O 1.25 1.119 0 CA-C-O 118.468 -0.777 . . . . 0.0 109.622 176.19 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.48 1.031 0 CA-C-O 120.931 0.396 . . . . 0.0 110.104 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.844 ' HB3' ' HB3' ' A' ' 5' ' ' ARG . 8.3 t70 -134.02 138.53 45.44 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.548 -179.489 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.44 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 4.0 mp0 -54.5 -35.84 63.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 112.19 -176.215 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.519 ' O ' ' HG ' ' A' ' 8' ' ' LEU . 3.5 mm? -96.26 -37.2 10.63 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.582 0.229 . . . . 0.0 110.756 -176.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.844 ' HB3' ' HB3' ' A' ' 2' ' ' ASP . 2.7 tmt_? -58.84 -44.69 91.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.219 -178.666 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.0 -35.42 78.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.744 0.307 . . . . 0.0 111.062 178.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 3' ' ' GLU . 89.8 mt -65.26 -34.43 78.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.94 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' ' 4' ' ' LEU . 88.4 mt -59.2 -30.68 68.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.936 -173.341 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 35.9 mtmt -59.45 -36.44 75.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.723 0.297 . . . . 0.0 110.898 -178.29 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.73 -46.3 66.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 -177.441 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -66.38 -41.49 89.32 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.123 179.254 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 79.5 mm-40 -64.78 -35.75 82.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.104 177.759 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.3 tp60 -60.31 -46.44 89.85 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.597 178.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.652 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -60.05 -46.71 93.7 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.752 -0.737 . . . . 0.0 111.745 177.87 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.473 ' HA ' HD12 ' A' ' 18' ' ' LEU . 75.1 mt -57.7 -43.88 84.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.689 0.28 . . . . 0.0 111.1 178.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.438 ' C ' ' HD3' ' A' ' 16' ' ' LYS . 0.8 OUTLIER -59.55 -46.45 88.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.39 179.895 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.464 ' O ' HG23 ' A' ' 21' ' ' VAL . 72.1 mt -61.77 -41.46 90.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.556 178.546 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.652 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 94.3 mt -57.65 -37.28 73.1 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.175 179.407 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.421 ' HG3' ' O ' ' A' ' 15' ' ' ILE . 30.2 mtpp -64.17 -41.93 96.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.2 179.238 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -66.45 -34.53 78.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.733 -177.71 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 17' ' ' ILE . 60.2 t -60.94 -39.45 82.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.98 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 99.0 mt -59.43 -35.47 74.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.59 178.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 80.7 mttt -72.21 -42.73 65.43 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.335 179.116 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.413 ' HG3' ' CD1' ' A' ' 36' ' ' LEU . 75.7 mmtt -67.98 -21.13 65.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.469 -178.018 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.61 -42.66 93.16 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.351 179.616 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 59.8 mttm -73.23 -26.69 61.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.864 179.55 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -69.07 -41.63 77.31 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 174.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.36 19.29 78.43 Favored Glycine 0 N--CA 1.45 -0.406 0 CA-C-N 115.815 -0.63 . . . . 0.0 113.119 173.758 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -90.34 118.22 29.67 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.969 0.414 . . . . 0.0 110.844 -178.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -57.29 -42.49 81.79 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.689 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.515 ' O ' ' HB2' ' A' ' 35' ' ' ARG . 80.4 mt-30 -64.52 -44.87 89.51 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-O 120.504 0.193 . . . . 0.0 110.874 -173.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -62.98 -47.86 81.32 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.092 0.473 . . . . 0.0 110.622 175.061 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.503 HD22 ' CE2' ' A' ' 93' ' ' PHE . 19.0 mt -65.61 -45.78 81.83 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.492 -0.777 . . . . 0.0 112.295 -175.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.3 -34.61 77.73 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.905 0.383 . . . . 0.0 110.594 179.481 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.515 ' HB2' ' O ' ' A' ' 31' ' ' GLN . 33.8 ttt180 -65.04 -43.85 91.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.89 177.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.486 ' O ' HG13 ' A' ' 40' ' ' ILE . 41.8 mt -65.79 -39.19 90.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.86 177.14 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -61.03 -39.98 91.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 0.0 109.837 176.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -63.13 -42.18 99.45 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.56 175.474 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.458 ' HA ' ' HE3' ' A' ' 42' ' ' LYS . 69.1 mm-40 -58.95 -45.16 91.16 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.769 178.309 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.486 HG13 ' O ' ' A' ' 36' ' ' LEU . 81.4 mt -56.85 -49.12 79.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.196 -179.147 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.524 HG13 HG23 ' A' ' 78' ' ' ILE . 95.2 t -58.64 -56.51 16.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.645 -175.417 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.458 ' HE3' ' HA ' ' A' ' 39' ' ' GLU . 14.9 pttp -66.69 -35.88 81.2 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -178.477 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.38 -46.99 74.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.547 0.213 . . . . 0.0 111.222 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.413 ' O ' HG23 ' A' ' 48' ' ' VAL . 7.9 mt-10 -68.64 -35.16 76.91 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.726 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.622 ' HE2' HG21 ' A' ' 78' ' ' ILE . 57.3 mmtt -59.09 -44.05 91.87 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.802 0.334 . . . . 0.0 110.572 175.009 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.479 ' O ' HG23 ' A' ' 50' ' ' VAL . 54.6 tp60 -61.89 -41.15 97.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.809 176.737 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.83 -47.55 90.43 Favored Glycine 0 N--CA 1.448 -0.551 0 CA-C-N 115.771 -0.65 . . . . 0.0 112.727 178.396 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 44' ' ' GLU . 78.2 t -60.81 -40.33 84.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.778 0.323 . . . . 0.0 110.33 178.716 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 56.5 tttm -56.29 -49.85 73.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.106 178.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 46' ' ' GLN . 21.2 t -70.86 -46.14 69.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.116 -178.329 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -59.02 -45.45 90.67 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.442 -179.285 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.427 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 81.4 tttt -64.52 -35.27 80.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.688 -176.308 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -64.41 -47.63 78.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.447 179.049 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.98 -33.92 74.46 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.195 -178.359 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.33 -47.11 86.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.53 -179.116 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' ' 52' ' ' LYS . 9.7 pt-20 -82.46 -2.49 53.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.696 0.284 . . . . 0.0 111.724 -177.523 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -102.62 -5.57 23.72 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.874 0.368 . . . . 0.0 110.392 174.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -81.88 175.47 10.38 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.024 -178.018 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 56.7 mtm180 -110.03 141.01 43.44 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.888 -177.629 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.475 ' HA ' ' HD2' ' A' ' 61' ' ' PRO . 61.8 t30 71.07 112.84 0.03 OUTLIER Pre-proline 0 N--CA 1.466 0.364 0 O-C-N 124.326 1.017 . . . . 0.0 110.633 -176.772 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.475 ' HD2' ' HA ' ' A' ' 60' ' ' ASN . 12.7 Cg_endo -55.6 -21.38 31.05 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 123.746 2.964 . . . . 0.0 113.189 -175.839 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.481 ' O ' HG23 ' A' ' 66' ' ' VAL . 40.5 mt-10 -66.04 -40.68 91.2 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.699 0.285 . . . . 0.0 110.459 177.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -70.34 -34.6 72.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.206 0.526 . . . . 0.0 109.709 176.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -60.9 -43.19 98.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.232 173.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.583 ' HA ' ' HB3' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -63.19 -35.73 81.28 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.041 -179.08 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 62' ' ' GLU . 93.1 t -59.12 -47.75 89.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.114 0.483 . . . . 0.0 109.985 178.418 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.443 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 59.2 mt -69.32 -39.14 78.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.281 176.814 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.583 ' HB3' ' HA ' ' A' ' 65' ' ' GLN . 19.0 t70 -56.34 -37.63 70.25 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.634 177.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 22.8 mtpp -58.97 -45.61 90.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.043 0.449 . . . . 0.0 110.562 176.477 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.423 ' O ' ' HB2' ' A' ' 74' ' ' GLU . 37.4 mt -71.05 -38.21 70.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.366 177.235 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.465 HD12 ' HA ' ' A' ' 68' ' ' ASP . 68.1 mt -55.94 -43.22 77.23 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.068 0.461 . . . . 0.0 110.993 175.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -70.05 -46.81 64.2 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.138 178.084 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.425 ' CG ' ' HE2' ' A' ' 107' ' ' HIS . 8.4 t70 -62.06 -46.64 88.23 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.718 -178.826 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.423 ' HB2' ' O ' ' A' ' 70' ' ' ILE . 4.5 tp10 -63.58 -36.99 85.62 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.9 -173.184 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -62.57 -37.67 87.08 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 120.974 0.416 . . . . 0.0 110.84 176.015 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -60.68 -34.19 73.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.632 -179.559 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.565 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 60.0 m170 -63.92 -49.11 73.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.455 0.645 . . . . 0.0 110.062 177.004 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.622 HG21 ' HE2' ' A' ' 45' ' ' LYS . 45.4 mt -63.74 -45.93 95.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 114.767 -1.106 . . . . 0.0 110.716 -176.642 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -56.73 -34.39 67.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.065 178.283 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.459 ' HE1' ' HG ' ' A' ' 96' ' ' LEU . 22.7 t-105 -71.32 -57.64 4.27 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.569 178.703 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -62.14 -32.41 73.01 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 112.084 0.401 . . . . 0.0 112.084 -177.197 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 53.8 tttm -67.55 -46.68 72.02 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.01 0.433 . . . . 0.0 110.673 179.663 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.98 -38.87 69.62 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.666 179.288 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.06 -17.08 59.79 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.16 -0.473 . . . . 0.0 112.24 -174.513 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.0 t -63.4 106.02 0.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.948 0.404 . . . . 0.0 110.524 -178.136 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -142.44 -154.69 0.54 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.394 -178.339 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 24.3 mp0 -83.17 140.06 32.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.02 177.14 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 83.4 -96.86 1.96 Allowed Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 121.002 -0.618 . . . . 0.0 111.824 -178.508 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.401 ' O ' HD13 ' A' ' 33' ' ' LEU . 5.8 m-20 55.38 67.3 1.03 Allowed 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 122.731 0.413 . . . . 0.0 111.288 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -119.35 -76.03 0.58 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 111.932 0.345 . . . . 0.0 111.932 -178.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -65.38 -48.79 71.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.784 -172.76 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 -68.69 -40.78 79.87 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.201 0.524 . . . . 0.0 110.559 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.503 ' CE2' HD22 ' A' ' 33' ' ' LEU . 19.5 t80 -62.26 -40.2 95.41 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.825 -178.563 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.69 -28.81 70.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.966 179.737 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 11.9 m -77.06 -45.17 28.02 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.971 0.415 . . . . 0.0 110.431 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.459 ' HG ' ' HE1' ' A' ' 80' ' ' TRP . 4.2 mm? -69.7 -38.48 76.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.773 -177.836 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 10.7 p -63.32 -34.35 66.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.715 0.293 . . . . 0.0 110.991 -179.153 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -65.65 -36.87 84.93 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 179.704 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 73.0 mm-40 -65.81 -39.16 90.63 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.777 177.416 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.565 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 4.7 t-160 -57.94 -43.17 86.2 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.535 176.696 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 52.3 tp -59.66 -46.41 89.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.989 178.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -63.91 -37.85 88.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -61.29 -49.17 78.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.979 179.008 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.476 ' HG2' ' O ' ' A' ' 100' ' ' HIS . 23.8 mm-40 -65.23 -26.79 68.27 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.053 -176.825 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -65.28 -33.48 76.09 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.648 177.456 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.502 ' HA ' ' HG2' ' A' ' 109' ' ' GLU . 23.5 ttt85 -72.57 -32.79 66.31 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 174.407 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.595 ' O ' HG12 ' A' ' 111' ' ' ILE . 17.8 m170 -58.48 -41.76 86.0 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 178.359 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 91.8 t -58.27 -50.59 77.93 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.052 178.268 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.675 ' HB2' ' HD3' ' A' ' 113' ' ' LYS . 6.3 pt-20 -68.38 -34.65 76.43 Favored 'General case' 0 C--O 1.224 -0.251 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.978 -177.198 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -68.46 -29.8 68.51 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.311 -0.556 . . . . 0.0 110.464 177.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.595 HG12 ' O ' ' A' ' 107' ' ' HIS . 31.9 mm -66.12 -64.91 0.64 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.893 174.143 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.461 ' O ' ' HB2' ' A' ' 113' ' ' LYS . 11.1 pt-20 -126.17 -19.36 4.75 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 112.943 0.72 . . . . 0.0 112.943 -172.11 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.675 ' HD3' ' HB2' ' A' ' 109' ' ' GLU . 19.8 mmtm 69.84 151.62 0.09 Allowed 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.13 0.572 . . . . 0.0 111.56 -172.624 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 67.5 mttm 64.68 -89.53 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.809 178.083 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 . . . . . 0 C--O 1.251 1.18 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.376 -173.991 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.1 ptt? . . . . . 0 N--CA 1.482 1.165 0 CA-C-O 120.792 0.33 . . . . 0.0 110.703 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -105.64 -6.03 19.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.438 -176.248 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -77.5 110.06 11.97 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.522 -175.212 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.757 ' HA ' HD13 ' A' ' 7' ' ' LEU . 10.2 mp 69.7 2.13 3.68 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.51 0.724 . . . . 0.0 112.738 172.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 36.3 ttt180 -67.45 -37.67 83.31 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.923 0.392 . . . . 0.0 110.57 178.65 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -70.12 -35.52 74.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.465 178.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.757 HD13 ' HA ' ' A' ' 4' ' ' LEU . 8.4 mp -63.9 -29.33 70.52 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.514 -176.599 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 79.3 mt -59.72 -30.33 68.75 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.494 0.554 . . . . 0.0 112.494 -174.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -59.09 -44.93 91.96 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 111.773 0.286 . . . . 0.0 111.773 -174.429 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.89 -42.39 85.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.644 0.259 . . . . 0.0 110.901 -177.729 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -63.95 -41.8 97.49 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.196 0.522 . . . . 0.0 109.806 177.311 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -63.49 -35.12 79.41 Favored 'General case' 0 N--CA 1.457 -0.111 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.966 177.26 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.462 ' O ' HG13 ' A' ' 17' ' ' ILE . 40.6 mt-30 -62.57 -45.99 90.4 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.825 177.699 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.603 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -60.89 -46.21 95.01 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.574 -0.822 . . . . 0.0 111.523 176.401 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 80.4 mt -59.53 -42.9 89.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.75 -0.225 . . . . 0.0 110.998 177.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.617 ' HA ' ' HD3' ' A' ' 19' ' ' LYS . 82.7 tttt -57.31 -47.37 81.67 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.668 0.271 . . . . 0.0 110.792 179.568 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.462 HG13 ' O ' ' A' ' 13' ' ' GLN . 52.5 mt -63.95 -41.23 91.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.351 179.591 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.603 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 96.8 mt -57.6 -41.45 81.26 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.493 177.713 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.617 ' HD3' ' HA ' ' A' ' 16' ' ' LYS . 25.7 mtpp -61.37 -37.19 82.47 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.976 178.673 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -73.66 -41.85 62.14 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.534 178.766 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.476 HG13 HD22 ' A' ' 33' ' ' LEU . 66.7 t -59.64 -39.68 80.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.285 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 87.9 mt -55.03 -43.66 73.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.889 0.376 . . . . 0.0 111.102 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 38.9 mtmm -72.09 -44.02 63.9 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.03 0.443 . . . . 0.0 110.944 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -70.0 -28.3 65.4 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.858 -175.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.52 ' HA ' HD11 ' A' ' 33' ' ' LEU . . . -71.58 -35.87 70.69 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.818 0.342 . . . . 0.0 110.891 178.207 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -72.13 -31.81 66.35 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 121.138 0.494 . . . . 0.0 110.111 176.121 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -69.66 -30.77 68.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.364 175.235 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 86.77 31.54 17.86 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.974 -0.632 . . . . 0.0 112.105 179.71 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.495 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 40.8 t0 -96.61 80.34 3.09 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.353 0.597 . . . . 0.0 110.297 -179.642 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.438 ' HA ' HD12 ' A' ' 33' ' ' LEU . 37.8 mt-10 -69.76 -21.33 63.45 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.508 -175.344 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -64.03 -47.88 78.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.881 0.372 . . . . 0.0 110.533 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -71.46 -38.14 71.29 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.759 175.08 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.52 HD11 ' HA ' ' A' ' 25' ' ' ALA . 81.6 mt -57.06 -41.55 78.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.398 -178.048 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.54 -42.35 98.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.896 0.379 . . . . 0.0 111.035 178.773 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 16.1 ttm180 -71.44 -43.85 65.93 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.573 ' O ' HG13 ' A' ' 40' ' ' ILE . 93.7 mt -60.94 -38.72 86.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.508 178.573 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 44.4 t-20 -55.98 -48.08 76.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.885 177.619 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -60.68 -43.12 98.11 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.328 177.119 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -66.74 -34.69 78.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.854 -177.654 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.573 HG13 ' O ' ' A' ' 36' ' ' LEU . 86.0 mt -57.43 -46.67 85.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 175.533 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.829 HG13 HG23 ' A' ' 78' ' ' ILE . 89.6 t -55.58 -43.41 72.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.628 177.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -63.32 -38.7 92.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.013 179.351 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.15 -47.01 72.3 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.574 178.409 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.508 ' HG2' ' O ' ' A' ' 40' ' ' ILE . 5.7 mm-40 -59.27 -46.0 89.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.369 178.264 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.551 ' HE2' HG21 ' A' ' 78' ' ' ILE . 65.4 mmtt -60.92 -41.85 96.97 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.449 -179.739 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.419 ' O ' HG23 ' A' ' 50' ' ' VAL . 58.6 tp60 -60.83 -41.77 96.45 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 178.122 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.32 -46.83 93.63 Favored Glycine 0 N--CA 1.446 -0.659 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.936 176.271 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 44' ' ' GLU . 79.6 t -54.85 -41.55 57.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.672 0.272 . . . . 0.0 111.244 178.634 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.1 -43.88 97.88 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.934 0.397 . . . . 0.0 110.852 179.428 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.507 HG12 ' HG ' ' A' ' 7' ' ' LEU . 46.2 t -69.51 -39.93 79.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.212 179.275 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -61.87 -44.89 95.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.371 177.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.416 ' HG3' HD11 ' A' ' 71' ' ' LEU . 86.1 mttt -58.44 -37.8 76.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.421 178.023 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -67.54 -51.65 48.26 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.033 0.444 . . . . 0.0 110.317 177.192 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.98 -31.67 73.02 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.753 -177.058 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.15 -45.91 92.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.65 -179.397 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -83.22 -5.43 59.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.112 0.482 . . . . 0.0 110.442 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 42.5 mmtm -92.44 15.28 14.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.846 171.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -82.25 105.25 13.18 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.115 0.483 . . . . 0.0 111.702 -178.694 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -68.48 -27.3 66.02 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.817 171.324 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 25.5 t30 -125.81 122.71 24.6 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.811 -179.461 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_exo -53.55 -26.26 36.08 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 123.449 2.766 . . . . 0.0 113.634 -177.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -63.63 -33.45 75.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.023 0.44 . . . . 0.0 110.767 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 27.8 ttpp -72.34 -30.3 64.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.66 178.182 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 31.8 ttp85 -69.05 -37.89 78.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.027 178.227 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -57.28 -44.9 84.44 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.149 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 57.7 t -62.45 -44.35 99.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.191 0.52 . . . . 0.0 110.554 178.705 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 80.6 mt -67.73 -44.07 86.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.144 -179.059 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -59.93 -46.6 88.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.538 -179.483 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 56.8 tttm -59.44 -44.6 92.89 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.992 -179.433 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 78.5 mt -71.17 -43.61 74.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.26 179.534 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.416 HD11 ' HG3' ' A' ' 52' ' ' LYS . 5.4 tt -61.02 -49.54 76.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.726 -176.294 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -63.8 -35.12 79.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.476 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.502 ' HB3' ' CE1' ' A' ' 107' ' ' HIS . 22.8 t0 -66.39 -46.26 77.21 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.424 0.631 . . . . 0.0 109.518 176.034 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.28 -38.77 84.6 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.518 -177.487 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -68.61 -33.99 74.99 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-O 120.983 0.42 . . . . 0.0 110.436 177.597 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -67.79 -35.88 79.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.562 177.639 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 63.2 m170 -61.19 -47.64 85.21 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.288 0.566 . . . . 0.0 109.828 177.151 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.829 HG23 HG13 ' A' ' 41' ' ' VAL . 89.0 mt -57.75 -45.26 86.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.609 179.589 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -56.66 -41.32 77.06 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.056 177.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 33.1 t-105 -67.63 -48.59 66.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.875 0.369 . . . . 0.0 110.29 178.226 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 31.8 m-70 -58.66 -31.85 68.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.138 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.475 ' HG3' ' O ' ' A' ' 78' ' ' ILE . 51.6 mtpt -59.31 -46.56 88.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.827 0.346 . . . . 0.0 110.793 177.513 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.3 -44.54 62.58 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.348 178.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.11 -12.64 60.52 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 -172.283 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.2 p -93.97 12.73 25.15 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.934 -0.306 . . . . 0.0 111.384 -179.248 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -112.57 5.34 17.82 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 -177.438 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -140.06 175.94 9.17 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.861 177.383 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -90.11 105.41 3.23 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.302 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.613 ' HB3' ' HB2' ' A' ' 93' ' ' PHE . 13.0 m120 -125.6 119.82 29.12 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.687 0.279 . . . . 0.0 110.677 -179.404 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -127.02 -65.76 0.93 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.212 174.31 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -68.39 -47.11 68.19 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.23 0.538 . . . . 0.0 110.118 -179.022 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -65.98 -35.36 80.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.529 176.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.613 ' HB2' ' HB3' ' A' ' 89' ' ' ASN . 5.0 t80 -60.91 -47.41 86.55 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.793 -176.47 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.473 ' O ' ' HG3' ' A' ' 98' ' ' GLN . . . -57.15 -34.68 68.67 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.206 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 10.0 t -70.71 -39.84 73.19 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.651 -178.507 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -72.12 -34.92 68.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.166 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 93' ' ' PHE . 86.6 t -62.2 -36.39 74.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.76 178.773 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.473 ' HG3' ' O ' ' A' ' 94' ' ' ALA . 79.0 mt-30 -57.34 -42.19 81.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.611 177.38 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -63.32 -42.03 98.96 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.554 178.614 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.514 ' O ' ' HG2' ' A' ' 104' ' ' GLU . 5.6 t-160 -63.92 -45.24 90.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.863 177.785 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.462 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 54.8 tp -60.01 -48.8 80.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.192 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -64.72 -33.96 77.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.366 0.603 . . . . 0.0 110.451 178.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -63.4 -44.68 93.97 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.575 177.166 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.514 ' HG2' ' O ' ' A' ' 100' ' ' HIS . 17.9 mm-40 -70.35 -32.53 70.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.493 -178.614 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.462 ' HG3' ' O ' ' A' ' 101' ' ' LEU . 25.5 mt-30 -61.02 -38.66 86.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.245 0.545 . . . . 0.0 109.996 176.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 65.8 mtm180 -64.58 -30.63 71.65 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.96 176.766 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.502 ' CE1' ' HB3' ' A' ' 73' ' ' ASP . 51.3 m170 -68.51 -49.91 56.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.926 175.333 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 48.2 t -65.9 -42.09 91.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.968 -175.02 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -57.0 -38.45 73.08 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 -175.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.419 ' O ' ' HG2' ' A' ' 113' ' ' LYS . 39.5 mt-10 -70.83 -28.76 64.84 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.674 0.273 . . . . 0.0 111.131 179.621 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 62.1 mt -78.56 -32.46 16.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.84 0.352 . . . . 0.0 111.333 -179.278 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -75.77 45.53 0.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.03 0.443 . . . . 0.0 111.811 -176.001 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.419 ' HG2' ' O ' ' A' ' 110' ' ' GLU . 70.9 mmtt -78.92 -58.01 3.46 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.243 178.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -93.6 11.66 28.03 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.103 -173.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 51.5 t30 . . . . . 0 C--O 1.247 0.957 0 CA-C-O 118.544 -0.741 . . . . 0.0 109.958 178.604 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.406 ' HG2' ' O ' ' A' ' 1' ' ' MET . 1.5 pmm? . . . . . 0 N--CA 1.477 0.923 0 CA-C-O 121.368 0.604 . . . . 0.0 110.078 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -164.19 162.85 22.92 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.864 -175.674 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -143.32 166.93 23.38 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 174.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -110.13 -23.93 11.0 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.875 -177.105 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 -68.79 -37.28 79.17 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 111.998 0.369 . . . . 0.0 111.998 -172.702 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.485 ' HA ' ' HD2' ' A' ' 9' ' ' LYS . 10.9 pt-20 -60.62 -35.32 75.87 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 120.756 -0.377 . . . . 0.0 110.825 179.064 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.456 HD21 HG11 ' A' ' 50' ' ' VAL . 94.4 mt -67.43 -36.88 82.09 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.181 0.515 . . . . 0.0 110.324 176.682 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.558 HD11 HG13 ' A' ' 108' ' ' VAL . 0.3 OUTLIER -67.19 -37.69 84.11 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.957 -0.756 . . . . 0.0 108.957 175.559 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.485 ' HD2' ' HA ' ' A' ' 6' ' ' GLU . 99.0 mttt -61.88 -35.07 77.25 Favored 'General case' 0 C--O 1.225 -0.191 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.881 177.15 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.25 -46.58 89.32 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.754 179.263 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -67.59 -39.28 84.8 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.592 177.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -63.72 -40.46 96.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.815 177.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.578 ' O ' HG13 ' A' ' 17' ' ' ILE . 48.4 tt0 -69.61 -37.42 76.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.921 177.28 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.492 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -58.15 -46.51 92.64 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.82 -0.705 . . . . 0.0 111.609 174.782 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 77.8 mt -63.59 -39.54 85.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.843 0.354 . . . . 0.0 110.301 175.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.416 ' HB3' ' O ' ' A' ' 13' ' ' GLN . 43.4 tttp -55.3 -48.23 74.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.867 175.761 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.584 ' O ' HG23 ' A' ' 21' ' ' VAL . 62.8 mt -62.05 -45.63 98.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.989 178.351 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.552 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 95.7 mt -57.78 -40.55 80.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.953 179.537 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp -63.33 -37.56 87.76 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.763 0.316 . . . . 0.0 111.238 178.371 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -73.24 -34.97 66.17 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.229 177.471 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 17' ' ' ILE . 89.7 t -62.86 -42.23 95.63 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.312 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.438 175.174 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 18' ' ' LEU . 93.4 mt -55.68 -40.17 71.95 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.712 0.291 . . . . 0.0 111.536 -179.506 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -68.35 -42.53 79.13 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.347 0.594 . . . . 0.0 110.351 179.008 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.864 ' HD3' ' HB3' ' A' ' 32' ' ' GLU . 98.4 mttt -83.54 -18.17 39.31 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.362 -0.835 . . . . 0.0 112.076 -173.289 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.31 -31.36 70.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.007 0.432 . . . . 0.0 110.25 175.13 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -69.59 -29.42 66.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.194 175.504 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -81.13 -35.5 31.48 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.279 -179.011 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.92 38.5 56.02 Favored Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.605 176.443 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -97.21 122.89 40.74 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.551 0.215 . . . . 0.0 110.448 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -64.92 -41.41 95.58 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.767 -176.705 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -63.66 -42.32 98.1 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.073 0.463 . . . . 0.0 110.389 -173.692 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.864 ' HB3' ' HD3' ' A' ' 24' ' ' LYS . 77.1 mm-40 -71.15 -46.56 61.23 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.473 176.522 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 17.3 mt -60.71 -45.63 93.49 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.995 -178.091 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.7 -45.13 91.41 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.566 0.222 . . . . 0.0 111.023 -178.023 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 21.4 ttm180 -59.5 -44.33 93.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.092 0.472 . . . . 0.0 110.344 178.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.732 HD11 ' HD2' ' A' ' 24' ' ' LYS . 81.6 mt -67.13 -45.19 77.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.907 179.568 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -58.87 -42.98 90.74 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.23 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -64.05 -42.07 97.17 Favored 'General case' 0 N--CA 1.441 -0.891 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.722 176.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.895 ' HA ' ' HE3' ' A' ' 42' ' ' LYS . 6.3 tp10 -60.55 -42.42 96.52 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.355 -179.723 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.533 HG13 ' O ' ' A' ' 36' ' ' LEU . 75.4 mt -58.44 -49.64 81.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.324 177.789 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 91.9 t -56.9 -44.67 82.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.944 178.381 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.895 ' HE3' ' HA ' ' A' ' 39' ' ' GLU . 33.6 mtmt -60.99 -47.24 87.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.264 178.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.17 -46.96 72.4 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.705 -176.388 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.476 ' O ' HG23 ' A' ' 48' ' ' VAL . 48.2 mt-10 -67.41 -40.78 85.57 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.219 -176.652 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.49 ' HE2' HG21 ' A' ' 78' ' ' ILE . 61.1 mttm -66.5 -32.08 73.22 Favored 'General case' 0 CA--C 1.52 -0.183 0 C-N-CA 120.752 -0.379 . . . . 0.0 111.128 179.016 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.421 ' O ' HG23 ' A' ' 50' ' ' VAL . 24.1 tm0? -61.06 -46.07 92.17 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 175.409 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -65.1 -47.17 84.56 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.852 -0.69 . . . . 0.0 111.988 178.206 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 44' ' ' GLU . 91.2 t -57.65 -41.5 79.42 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-O 120.765 0.317 . . . . 0.0 110.942 179.276 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -61.04 -43.52 98.77 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.682 -179.074 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.456 HG11 HD21 ' A' ' 7' ' ' LEU . 47.0 t -70.25 -41.22 78.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.724 178.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -60.64 -41.91 95.89 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.696 0.284 . . . . 0.0 110.535 177.233 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.567 ' HG2' HD11 ' A' ' 71' ' ' LEU . 6.7 tmtt? -60.58 -39.98 90.03 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.137 0.494 . . . . 0.0 110.507 176.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -67.22 -45.65 76.19 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.351 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.61 -32.94 68.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.997 -177.642 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.425 ' O ' ' HD2' ' A' ' 64' ' ' ARG . . . -62.82 -38.11 89.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.595 0.236 . . . . 0.0 111.626 -177.58 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -71.4 -23.03 61.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.132 0.491 . . . . 0.0 110.845 177.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -106.2 37.61 2.24 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.944 177.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.97 139.25 52.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.351 -0.84 . . . . 0.0 112.068 -177.679 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 79.4 mtt180 -102.15 -22.78 14.14 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.036 179.471 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -152.66 125.73 4.13 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.635 -178.32 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -50.18 -47.89 22.13 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 123.074 2.516 . . . . 0.0 112.906 178.158 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -61.03 -38.28 85.56 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.005 0.431 . . . . 0.0 110.955 179.329 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.834 ' HA ' ' HE3' ' A' ' 63' ' ' LYS . 0.7 OUTLIER -68.15 -42.23 80.41 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.298 179.104 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.425 ' HD2' ' O ' ' A' ' 55' ' ' ALA . 9.0 ttp180 -69.71 -29.52 66.94 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.661 -179.079 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.25 -42.35 86.21 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.118 0.485 . . . . 0.0 110.015 176.476 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 98.2 t -61.0 -47.4 93.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.514 175.59 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 75.4 mt -65.08 -45.95 92.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.988 -179.251 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -57.05 -45.52 83.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.661 -177.231 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.1 ttpm? -63.44 -43.8 96.37 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.808 -179.478 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 55.7 mt -70.17 -38.19 73.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.954 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.567 HD11 ' HG2' ' A' ' 52' ' ' LYS . 7.0 tt -57.92 -49.42 76.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.123 177.314 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -65.98 -38.81 89.49 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.609 179.117 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.402 ' O ' ' HB3' ' A' ' 76' ' ' LYS . 8.2 t70 -61.51 -49.24 77.54 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.71 178.728 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.428 ' O ' HG13 ' A' ' 78' ' ' ILE . 2.4 tp10 -65.62 -41.48 92.65 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.017 -0.992 . . . . 0.0 111.042 -172.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.47 -34.69 77.34 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 121.167 0.508 . . . . 0.0 110.007 174.277 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.902 ' HA ' ' HE3' ' A' ' 76' ' ' LYS . 0.6 OUTLIER -61.86 -36.67 81.92 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.486 179.857 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 51.5 m170 -64.96 -48.3 74.56 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.294 0.568 . . . . 0.0 110.485 177.116 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.49 HG21 ' HE2' ' A' ' 45' ' ' LYS . 52.3 mt -60.69 -38.42 78.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 114.922 -1.035 . . . . 0.0 111.007 -175.632 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -59.08 -39.55 82.47 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.665 -0.243 . . . . 0.0 110.681 176.671 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 21.3 t-105 -63.46 -50.88 67.99 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 177.012 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -62.59 -30.97 71.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.588 -179.63 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp -66.62 -46.76 74.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.858 0.361 . . . . 0.0 110.903 173.265 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.47 -29.96 66.66 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.331 -179.172 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.88 -19.36 64.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.34 179.74 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 38.2 t -64.23 -23.33 67.27 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.953 0.406 . . . . 0.0 110.479 177.028 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -124.88 21.4 8.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.069 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -156.41 33.36 0.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.762 0.791 . . . . 0.0 109.064 -177.395 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -82.52 77.11 2.14 Favored Glycine 0 N--CA 1.448 -0.518 0 CA-C-N 115.47 -0.786 . . . . 0.0 113.16 -174.18 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -94.7 122.55 37.43 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 173.723 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -52.4 -56.16 16.86 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -170.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.49 -37.63 77.3 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.716 0.293 . . . . 0.0 111.496 -175.033 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -64.5 -49.78 70.0 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.22 0.533 . . . . 0.0 109.996 177.322 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -60.88 -42.34 97.75 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.305 -0.862 . . . . 0.0 110.835 179.636 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.27 -21.33 66.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.506 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 27.2 m -83.58 -47.48 11.24 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.824 0.345 . . . . 0.0 110.514 178.02 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 10.4 mp -70.81 -31.8 68.66 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.659 -178.429 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 7.5 p -61.87 -33.74 59.39 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 CA-C-O 120.651 0.263 . . . . 0.0 110.781 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -59.96 -33.55 72.09 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.706 0.289 . . . . 0.0 110.959 177.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -66.8 -35.7 80.68 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.022 176.247 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -65.74 -42.39 91.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.45 178.357 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.55 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 3.9 mm? -58.17 -48.7 79.49 Favored 'General case' 0 N--CA 1.461 0.125 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.55 178.139 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -67.3 -38.7 85.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.059 -179.356 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -64.42 -49.0 73.25 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.712 -175.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -63.63 -29.77 70.97 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.539 0.209 . . . . 0.0 111.348 -176.392 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.55 ' HG3' ' O ' ' A' ' 101' ' ' LEU . 77.5 mt-30 -61.81 -40.06 93.93 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 177.623 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.59 ' HA ' ' HG2' ' A' ' 109' ' ' GLU . 1.1 mtp180 -65.68 -32.38 73.91 Favored 'General case' 0 C--O 1.224 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.961 176.637 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.462 ' O ' HG12 ' A' ' 111' ' ' ILE . 22.7 m170 -63.44 -39.34 94.23 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.318 179.165 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.558 HG13 HD11 ' A' ' 8' ' ' LEU . 59.0 t -67.64 -50.93 56.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.287 178.393 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.59 ' HG2' ' HA ' ' A' ' 106' ' ' ARG . 12.7 pt-20 -66.97 -32.2 73.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.122 -177.542 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.475 ' HB2' ' O ' ' A' ' 106' ' ' ARG . 4.0 tp10 -58.98 -36.47 74.91 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 176.831 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.462 HG12 ' O ' ' A' ' 107' ' ' HIS . 48.9 mm -74.45 -61.78 1.57 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.418 178.228 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.45 -66.6 0.46 Allowed 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 179.434 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.689 ' HG3' ' H ' ' A' ' 114' ' ' LYS . 46.7 pttt -164.54 -65.85 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 120.828 0.346 . . . . 0.0 111.862 -176.26 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.689 ' H ' ' HG3' ' A' ' 113' ' ' LYS . 73.0 mmtt -165.91 -36.03 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.079 0.952 . . . . 0.0 108.864 -170.298 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.444 HD22 ' HA ' ' A' ' 115' ' ' ASN . 2.6 t-20 . . . . . 0 C--O 1.243 0.759 0 CA-C-N 114.503 -1.226 . . . . 0.0 109.872 -178.4 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 95.9 mt . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.769 0.319 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 48.7 mt -60.71 -30.05 69.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.877 177.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -58.02 -34.99 70.64 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.764 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.85 -46.6 71.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.579 178.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -65.39 -44.59 87.06 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.69 179.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -57.81 -42.33 84.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.042 179.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -65.26 -46.47 80.36 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.659 179.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.508 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -59.7 -46.53 93.86 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.877 -0.677 . . . . 0.0 112.237 178.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.498 ' O ' ' HG2' ' A' ' 19' ' ' LYS . 76.3 mt -62.65 -40.72 89.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.633 0.254 . . . . 0.0 111.107 179.227 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -61.98 -40.78 96.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.765 0.317 . . . . 0.0 110.639 -178.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.476 ' O ' HG23 ' A' ' 21' ' ' VAL . 64.3 mt -65.98 -40.07 86.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.351 176.633 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 91.5 mt -57.56 -36.11 71.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.318 178.525 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.498 ' HG2' ' O ' ' A' ' 15' ' ' ILE . 30.7 mmmt -56.5 -45.36 81.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.092 0.472 . . . . 0.0 110.348 177.554 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.46 ' HA ' ' OE1' ' A' ' 20' ' ' GLU . 9.4 mm-40 -72.45 -33.64 67.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.594 179.54 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.547 HG21 HD11 ' A' ' 40' ' ' ILE . 76.4 t -59.53 -39.24 78.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.397 176.186 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 90.9 mt -60.54 -39.48 88.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.713 175.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.402 ' HE2' ' HB3' ' A' ' 23' ' ' LYS . 1.9 mmmm -65.62 -48.24 72.93 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.668 178.67 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.47 ' HG2' ' HB3' ' A' ' 32' ' ' GLU . 5.5 mptp? -74.54 -25.19 59.16 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.817 -175.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.84 -42.17 99.64 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.959 0.409 . . . . 0.0 110.077 175.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -72.64 -35.12 67.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.853 176.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -61.12 -48.49 81.42 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.561 175.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.66 58.81 4.35 Favored Glycine 0 N--CA 1.448 -0.514 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.726 176.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -127.07 133.91 50.37 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 110.329 -0.249 . . . . 0.0 110.329 176.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -62.96 -44.16 96.82 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.542 -175.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.458 ' NE2' ' H ' ' A' ' 31' ' ' GLN . 2.3 mp0 -63.46 -47.78 80.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.646 0.26 . . . . 0.0 110.692 -177.269 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.47 ' HB3' ' HG2' ' A' ' 24' ' ' LYS . 37.8 mm-40 -62.15 -44.92 95.56 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.157 177.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 33' ' ' LEU . 17.9 mt -65.19 -45.8 83.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.156 -177.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.85 -44.12 86.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.817 0.342 . . . . 0.0 110.708 -179.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.446 ' O ' ' HG2' ' A' ' 39' ' ' GLU . 61.9 ttt180 -59.62 -44.11 93.55 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.451 178.323 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.483 ' O ' HG13 ' A' ' 40' ' ' ILE . 28.6 mt -68.39 -40.23 81.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.087 178.093 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.468 ' O ' HG23 ' A' ' 41' ' ' VAL . 26.5 t-20 -56.26 -44.84 80.11 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 174.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 1.065 HE21 ' HA ' ' A' ' 38' ' ' GLN . 0.0 OUTLIER -62.49 -40.84 98.0 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.464 177.804 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' A' ' 35' ' ' ARG . 64.7 mm-40 -63.1 -41.94 99.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.879 177.158 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.547 HD11 HG21 ' A' ' 21' ' ' VAL . 85.3 mt -59.81 -50.01 81.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 179.41 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 37' ' ' ASN . 89.8 t -53.73 -50.57 50.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.979 -179.134 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt -63.54 -44.07 95.26 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.53 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.92 -47.28 72.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.875 -175.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -64.86 -40.0 94.44 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.592 -177.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.477 ' HG3' HD13 ' A' ' 78' ' ' ILE . 67.1 mttm -69.89 -32.27 70.51 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.521 179.102 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 50.5 tp60 -62.17 -37.09 83.94 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 172.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.597 ' O ' ' HD1' ' A' ' 51' ' ' TYR . . . -62.05 -47.24 91.25 Favored Glycine 0 N--CA 1.448 -0.528 0 CA-C-N 115.039 -0.982 . . . . 0.0 111.543 172.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 79.4 t -55.91 -38.65 53.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.794 0.33 . . . . 0.0 110.406 176.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.5 tptm -61.73 -49.75 75.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.56 -179.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 8.6 m -68.5 -37.55 77.92 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.081 0 C-N-CA 120.845 -0.342 . . . . 0.0 111.305 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.597 ' HD1' ' O ' ' A' ' 47' ' ' GLY . 36.9 m-85 -65.82 -49.11 69.39 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 121.032 -0.267 . . . . 0.0 110.788 178.351 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -60.79 -39.39 88.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.116 0.484 . . . . 0.0 110.797 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -64.79 -41.97 95.41 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.585 179.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.06 -32.83 67.44 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.458 179.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.43 -39.47 83.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.484 -179.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -82.82 15.09 2.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.059 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.1 ttpp -142.61 33.77 1.44 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.57 0.7 . . . . 0.0 109.236 176.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -88.21 111.0 21.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.183 -178.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -60.43 -35.04 74.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.176 179.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.407 ' OD1' ' HD2' ' A' ' 61' ' ' PRO . 31.4 t30 -124.11 129.21 24.82 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.612 -178.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.407 ' HD2' ' OD1' ' A' ' 60' ' ' ASN . 94.7 Cg_exo -46.15 -34.3 13.14 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 123.503 2.802 . . . . 0.0 113.531 177.291 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -63.98 -32.79 74.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.877 0.37 . . . . 0.0 110.872 178.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.458 ' HE2' HD11 ' A' ' 67' ' ' ILE . 1.4 tmtp? -69.51 -38.02 77.42 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 178.447 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 17.6 ttm-85 -69.47 -40.34 77.16 Favored 'General case' 0 C--O 1.223 -0.319 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.061 175.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -55.77 -45.52 78.11 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 123.182 0.593 . . . . 0.0 111.647 -178.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 92.7 t -65.69 -46.38 89.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.997 0.427 . . . . 0.0 110.316 178.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.458 HD11 ' HE2' ' A' ' 63' ' ' LYS . 52.0 mt -60.34 -48.11 89.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.473 178.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -60.86 -41.2 95.44 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.125 -176.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.459 ' C ' ' HD3' ' A' ' 69' ' ' LYS . 14.1 tmtt? -63.03 -46.42 87.66 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.663 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 17.7 mt -71.63 -37.15 62.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.163 179.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.6 tt -55.5 -47.55 76.02 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 176.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -65.2 -40.76 94.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.129 177.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.442 ' O ' ' HB2' ' A' ' 76' ' ' LYS . 0.4 OUTLIER -60.96 -49.24 78.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.101 -178.841 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.7 -39.55 94.37 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.208 -173.157 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -67.2 -36.45 81.76 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.936 174.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.442 ' HB2' ' O ' ' A' ' 73' ' ' ASP . 25.4 mmmt -58.56 -38.47 77.92 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.86 178.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.579 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 55.1 m170 -61.93 -48.06 82.1 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.299 179.063 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.477 HD13 ' HG3' ' A' ' 45' ' ' LYS . 45.8 mt -61.99 -43.1 97.13 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.297 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.748 -178.311 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -56.91 -37.26 71.19 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.174 179.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 33.1 t-105 -67.7 -52.95 31.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.642 177.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -61.98 -32.11 72.54 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.764 -179.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.404 ' HZ3' ' HB3' ' A' ' 82' ' ' LYS . 5.8 ttpm? -71.39 -39.76 70.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.952 0.406 . . . . 0.0 110.676 178.64 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.52 -24.42 67.12 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.853 -176.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.698 178.581 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -68.51 -44.4 74.75 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.578 176.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -63.95 -36.1 82.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.165 176.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.621 ' O ' HG23 ' A' ' 97' ' ' VAL . 39.3 t80 -66.78 -49.14 66.84 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.65 -174.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.44 -39.51 76.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.477 -178.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 11.1 t -60.92 -42.9 99.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.498 179.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.431 HD13 ' HA ' ' A' ' 96' ' ' LEU . 4.1 mm? -72.68 -32.49 65.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.813 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 93' ' ' PHE . 93.8 t -61.8 -35.04 65.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.591 0.234 . . . . 0.0 110.578 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -56.08 -37.2 69.01 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.505 178.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -69.94 -42.39 73.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.643 -179.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.579 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 4.5 t-160 -63.53 -43.61 96.63 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 178.402 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 48.6 tp -63.16 -48.65 77.52 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.224 -178.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -64.03 -35.57 81.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.072 0.463 . . . . 0.0 110.586 178.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -65.27 -49.1 70.85 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.925 -179.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.424 ' O ' ' HB2' ' A' ' 107' ' ' HIS . 14.2 mm-40 -66.06 -32.62 74.19 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.929 0.395 . . . . 0.0 110.43 -178.593 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -65.76 -33.26 75.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.191 -0.458 . . . . 0.0 109.965 174.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 57.7 ttt-85 -69.88 -35.0 74.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.526 175.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.432 ' CE1' ' HB3' ' A' ' 73' ' ' ASP . 21.5 m170 -59.0 -40.13 83.94 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.836 175.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 57.3 t -61.75 -41.06 89.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.198 176.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -67.62 -36.85 81.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.933 177.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -64.28 -29.87 70.95 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.64 177.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 42.3 mm -87.16 -65.0 0.98 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.442 177.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 . . . . . 0 C--N 1.33 -0.268 0 N-CA-C 112.446 0.536 . . . . 0.0 112.446 -171.354 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.429 ' N ' HD12 ' A' ' 7' ' ' LEU . 6.5 mp . . . . . 0 N--CA 1.455 -0.176 0 CA-C-O 120.905 0.383 . . . . 0.0 110.341 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 77.3 mt -61.79 -45.53 93.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.304 179.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 58.9 tttm -61.99 -34.61 76.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.685 -176.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.41 -46.83 78.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.743 178.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -64.03 -43.3 95.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.665 178.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -64.09 -36.27 83.47 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.955 179.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 53.4 tp60 -66.74 -44.48 81.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.333 179.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.621 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -58.93 -46.58 93.43 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.824 -0.703 . . . . 0.0 111.504 176.524 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.481 HG23 ' CD1' ' A' ' 101' ' ' LEU . 67.7 mt -58.4 -42.68 84.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.844 0.354 . . . . 0.0 110.806 176.53 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -60.92 -41.04 95.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.807 -179.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.52 ' O ' HG23 ' A' ' 21' ' ' VAL . 69.4 mt -68.32 -43.15 84.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.477 176.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.621 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 95.4 mt -57.3 -37.32 72.28 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.45 -178.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.436 ' HG3' ' O ' ' A' ' 15' ' ' ILE . 9.7 mtpm? -57.47 -45.11 85.19 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-O 120.99 0.424 . . . . 0.0 111.258 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -73.71 -32.15 63.76 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.396 -179.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.621 HG21 HD11 ' A' ' 40' ' ' ILE . 60.3 t -60.87 -37.66 77.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.701 -0.227 . . . . 0.0 110.395 174.42 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 92.4 mt -56.78 -40.28 75.6 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.739 0.304 . . . . 0.0 110.716 175.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 29.8 mmtp -57.26 -46.97 82.56 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.478 0.656 . . . . 0.0 110.139 176.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.551 ' HD2' ' HG2' ' A' ' 32' ' ' GLU . 70.3 mmtt -79.75 -20.69 45.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.937 -1.029 . . . . 0.0 111.879 -173.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.441 ' HB1' ' HB2' ' A' ' 94' ' ' ALA . . . -71.0 -31.89 68.55 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.122 0.487 . . . . 0.0 109.908 174.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -68.09 -42.36 80.47 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.232 174.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -66.53 -48.74 68.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.594 178.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.54 55.22 2.91 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.885 176.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.518 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 28.3 t70 -115.72 114.3 24.64 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 173.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -66.55 -30.56 70.9 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.346 -173.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -65.25 -48.95 71.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.142 0.496 . . . . 0.0 110.113 178.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.551 ' HG2' ' HD2' ' A' ' 24' ' ' LYS . 8.0 tp10 -63.0 -45.49 92.15 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.976 177.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 76.9 mt -59.58 -38.19 80.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.225 179.671 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.519 ' O ' ' HG2' ' A' ' 38' ' ' GLN . . . -65.27 -45.79 83.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.983 179.58 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.4 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 57.2 ttp85 -61.59 -46.37 90.13 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.731 177.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.555 ' HB3' HG22 ' A' ' 21' ' ' VAL . 95.4 mt -59.92 -45.2 93.34 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.377 177.556 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.498 ' O ' HG23 ' A' ' 41' ' ' VAL . 66.7 t30 -56.29 -44.11 79.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.925 177.198 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.519 ' HG2' ' O ' ' A' ' 34' ' ' ALA . 14.2 mm100 -57.69 -41.88 82.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.054 178.457 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -67.6 -41.97 83.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.557 179.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.621 HD11 HG21 ' A' ' 21' ' ' VAL . 83.1 mt -58.64 -49.85 81.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.72 178.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.503 HG13 HG23 ' A' ' 78' ' ' ILE . 98.3 t -55.04 -48.51 75.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.454 -177.344 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -64.04 -38.0 89.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.692 0.282 . . . . 0.0 111.47 -179.003 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.58 -47.18 67.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.649 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.464 ' O ' HG23 ' A' ' 48' ' ' VAL . 8.4 mm-40 -60.7 -38.42 84.95 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.871 178.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.493 ' HE2' HG12 ' A' ' 41' ' ' VAL . 66.3 mttm -59.0 -38.84 80.14 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.922 0.392 . . . . 0.0 110.83 177.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 46.0 tp60 -67.03 -39.23 86.95 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.742 -178.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.14 -44.96 94.96 Favored Glycine 0 N--CA 1.45 -0.392 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.768 176.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.488 HG22 ' HB3' ' A' ' 74' ' ' GLU . 99.3 t -57.56 -40.07 72.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.894 0.378 . . . . 0.0 110.751 177.745 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -65.37 -49.49 69.13 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.118 -179.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 33.1 m -69.71 -31.06 47.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 C-N-CA 121.122 -0.231 . . . . 0.0 111.424 -177.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.408 ' CE2' HD23 ' A' ' 7' ' ' LEU . 9.2 m-85 -71.05 -37.86 72.53 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 121.185 -0.206 . . . . 0.0 110.984 176.693 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.3 mmtp -67.87 -38.56 83.23 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.393 177.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -62.61 -37.42 86.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.246 0.546 . . . . 0.0 109.663 175.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.584 ' HA ' ' HB3' ' A' ' 57' ' ' LYS . . . -68.43 -32.58 72.71 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.129 177.08 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.9 -39.73 94.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.797 0.332 . . . . 0.0 111.177 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -86.37 -7.11 58.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.459 0.647 . . . . 0.0 110.361 178.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.584 ' HB3' ' HA ' ' A' ' 54' ' ' ALA . 31.5 tptt -87.86 -20.81 25.51 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.007 -0.997 . . . . 0.0 109.863 174.49 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.26 137.9 57.8 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.412 -178.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.2 ttt180 -94.42 -24.92 17.14 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.818 -175.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.544 ' HB2' ' HG2' ' A' ' 63' ' ' LYS . 15.6 m120 -130.32 146.01 59.8 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.488 -175.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -54.76 -39.08 91.25 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.924 2.416 . . . . 0.0 112.398 176.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -59.18 -38.9 80.94 Favored 'General case' 0 N--CA 1.461 0.124 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.581 178.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.544 ' HG2' ' HB2' ' A' ' 60' ' ' ASN . 71.9 mmtt -75.16 -32.95 61.44 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.067 -179.118 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 32.9 ttt180 -62.26 -40.16 95.29 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.186 176.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -55.68 -44.41 77.31 Favored 'General case' 0 N--CA 1.455 -0.217 0 O-C-N 123.286 0.366 . . . . 0.0 111.226 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.9 t -62.56 -48.39 88.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.835 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 63.7 mt -69.46 -42.85 81.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.826 -178.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -59.97 -38.31 82.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.195 -178.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -59.63 -47.75 84.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.06 0.457 . . . . 0.0 110.756 -178.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.484 HG23 ' ND1' ' A' ' 107' ' ' HIS . 26.2 mt -73.62 -38.59 52.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.965 178.415 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -56.34 -48.19 77.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.892 0.377 . . . . 0.0 110.376 178.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.98 -41.99 94.95 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.156 179.484 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.465 ' O ' ' HB3' ' A' ' 76' ' ' LYS . 1.3 t70 -69.33 -37.37 77.67 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.915 -176.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.488 ' HB3' HG22 ' A' ' 48' ' ' VAL . 2.7 tp10 -68.25 -35.42 77.88 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.143 -176.497 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -65.8 -43.26 89.24 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 171.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.465 ' HB3' ' O ' ' A' ' 73' ' ' ASP . 33.7 ttmt -57.47 -39.44 76.39 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.031 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 63.2 m170 -59.34 -47.75 84.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.062 0.458 . . . . 0.0 110.534 177.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.503 HG23 HG13 ' A' ' 41' ' ' VAL . 61.1 mt -61.48 -48.54 88.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.556 -179.081 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -59.41 -36.95 76.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.373 178.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 15.0 t-105 -65.41 -52.29 54.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.582 179.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 25.4 m-70 -60.58 -35.69 76.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.913 177.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.78 -35.83 80.99 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 179.057 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.63 -20.65 65.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.597 -179.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.681 -179.106 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.236 0 CA-C-O 121.117 0.484 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.51 ' H ' ' CD ' ' A' ' 91' ' ' GLU . 0.0 OUTLIER -62.11 -41.31 98.1 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.643 178.113 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.489 ' O ' ' HG ' ' A' ' 96' ' ' LEU . 50.7 mt-30 -68.1 -46.1 71.89 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.642 177.561 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.484 ' CE2' HD22 ' A' ' 33' ' ' LEU . 75.9 t80 -63.41 -38.24 90.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.751 -179.406 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.441 ' HB2' ' HB1' ' A' ' 25' ' ' ALA . . . -57.71 -39.92 78.32 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.126 178.142 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.536 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 32.7 t -68.2 -38.05 81.57 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.34 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' A' ' 92' ' ' GLN . 65.5 mt -62.06 -43.03 99.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.81 -177.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 93' ' ' PHE . 38.9 t -64.22 -36.56 77.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.519 179.208 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.516 HE21 ' HA ' ' A' ' 95' ' ' SER . 50.4 mt-30 -65.37 -35.1 79.92 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.536 ' HG2' ' O ' ' A' ' 95' ' ' SER . 55.4 mm-40 -69.27 -42.36 75.66 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 178.373 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -64.16 -45.11 89.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.029 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.481 ' CD1' HG23 ' A' ' 15' ' ' ILE . 42.7 tp -59.82 -49.5 77.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.236 -178.763 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.685 ' HB3' HH21 ' A' ' 106' ' ' ARG . 7.6 mm-40 -64.92 -34.83 79.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.352 0.596 . . . . 0.0 110.711 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -66.08 -49.39 67.75 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.331 -0.849 . . . . 0.0 111.218 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -67.34 -30.91 70.86 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.512 0.196 . . . . 0.0 110.8 -177.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.484 ' O ' ' HG3' ' A' ' 109' ' ' GLU . 54.8 mt-30 -61.27 -40.65 94.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.015 0.436 . . . . 0.0 110.171 175.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.685 HH21 ' HB3' ' A' ' 102' ' ' GLN . 21.3 mtm180 -72.12 -31.58 66.14 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.988 175.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.484 ' ND1' HG23 ' A' ' 70' ' ' ILE . 13.0 m170 -58.31 -46.84 85.39 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 174.071 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 69.0 t -66.6 -37.77 80.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.127 178.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.484 ' HG3' ' O ' ' A' ' 105' ' ' GLN . 32.4 mt-10 -59.81 -45.99 90.61 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -178.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -65.48 -29.92 70.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.741 0.305 . . . . 0.0 111.012 -178.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 48.9 mm -76.93 -58.67 4.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.873 177.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 . . . . . 0 C--N 1.328 -0.342 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -176.575 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.413 HD22 ' HB ' ' A' ' 50' ' ' VAL . 56.3 mt . . . . . 0 C--O 1.233 0.224 0 CA-C-O 121.001 0.429 . . . . 0.0 110.525 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.465 HD22 HG21 ' A' ' 111' ' ' ILE . 44.8 mt -62.58 -30.13 71.1 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.427 -178.588 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -60.18 -34.61 73.83 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.359 -174.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.87 -46.63 65.1 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.681 -175.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -64.6 -38.27 90.44 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 178.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 76.6 mm-40 -64.24 -42.36 96.57 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.194 176.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.447 ' O ' HG13 ' A' ' 17' ' ' ILE . 58.2 tp60 -60.89 -44.99 96.35 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.86 179.29 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.612 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -58.26 -46.48 92.81 Favored Glycine 0 N--CA 1.453 -0.193 0 C-N-CA 120.619 -0.801 . . . . 0.0 111.894 178.368 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.417 ' HA ' HD12 ' A' ' 18' ' ' LEU . 75.1 mt -61.34 -38.85 80.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.016 0.436 . . . . 0.0 110.946 177.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.1 tttp -62.77 -42.1 99.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.729 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 13' ' ' GLN . 62.9 mt -67.42 -37.93 79.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.328 178.158 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.612 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 95.6 mt -57.49 -39.12 75.74 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.799 179.3 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -58.59 -45.42 89.14 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 120.933 0.397 . . . . 0.0 110.892 178.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -65.32 -41.67 93.74 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.542 -178.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.575 HG21 HD11 ' A' ' 40' ' ' ILE . 91.1 t -62.81 -39.61 85.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.147 -179.24 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.603 HD11 HD22 ' A' ' 101' ' ' LEU . 92.4 mt -55.39 -45.8 76.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.823 0.344 . . . . 0.0 110.997 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -66.76 -48.11 70.09 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.769 179.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.852 ' HE2' ' HA ' ' A' ' 24' ' ' LYS . 8.3 mmpt? -69.71 -38.03 76.79 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.319 -173.455 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.532 ' HA ' HD11 ' A' ' 33' ' ' LEU . . . -71.54 -35.32 70.61 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.748 0.309 . . . . 0.0 111.036 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.46 ' HE3' ' HB3' ' A' ' 26' ' ' LYS . 0.8 OUTLIER -71.82 -37.24 70.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.336 177.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -71.69 -46.44 58.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.033 177.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 117.92 29.01 2.1 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.399 -0.905 . . . . 0.0 113.194 177.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.469 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 4.2 m-20 -81.49 68.61 7.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.207 0.527 . . . . 0.0 110.058 174.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.519 ' HA ' HD12 ' A' ' 33' ' ' LEU . 30.7 mt-10 -63.04 -35.64 80.89 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.655 -174.321 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 56.8 tp60 -67.38 -38.13 84.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.132 0.492 . . . . 0.0 110.639 179.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -71.54 -36.31 70.95 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.072 177.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.532 HD11 ' HA ' ' A' ' 25' ' ' ALA . 48.0 mt -55.7 -35.46 66.09 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 115.608 -0.723 . . . . 0.0 111.79 -178.61 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.68 -43.08 94.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.898 0.38 . . . . 0.0 110.867 178.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -69.44 -49.09 58.31 Favored 'General case' 0 N--CA 1.442 -0.864 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.116 177.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.533 ' O ' HG13 ' A' ' 40' ' ' ILE . 98.6 mt -59.39 -44.59 92.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.266 -175.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -58.91 -46.28 88.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.879 -178.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -58.91 -44.46 91.24 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.405 -179.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -67.56 -31.39 71.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.54 -176.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.575 HD11 HG21 ' A' ' 21' ' ' VAL . 75.2 mt -58.39 -49.89 80.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.981 0.42 . . . . 0.0 110.128 175.221 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.681 HG13 HG23 ' A' ' 78' ' ' ILE . 61.9 t -58.15 -45.68 88.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.948 -179.332 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -63.56 -44.88 92.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.471 -179.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.52 -47.06 65.02 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -175.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -64.85 -45.05 87.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.684 0.278 . . . . 0.0 111.05 -177.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.498 ' O ' HG12 ' A' ' 48' ' ' VAL . 56.9 tttt -69.87 -30.41 67.86 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.945 -176.339 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 46.4 tp60 -60.79 -45.38 94.59 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 173.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -69.27 -43.24 71.79 Favored Glycine 0 N--CA 1.448 -0.513 0 CA-C-N 115.4 -0.818 . . . . 0.0 113.043 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.498 HG12 ' O ' ' A' ' 45' ' ' LYS . 2.2 p -59.97 -37.1 70.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.119 0.485 . . . . 0.0 109.882 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.762 ' HA ' ' HE3' ' A' ' 49' ' ' LYS . 0.4 OUTLIER -59.56 -50.25 74.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.652 178.618 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.413 ' HB ' HD22 ' A' ' 7' ' ' LEU . 2.9 m -69.57 -32.45 52.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.825 -0.35 . . . . 0.0 111.518 -179.408 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.536 ' HB3' HD21 ' A' ' 71' ' ' LEU . 21.8 m-85 -65.27 -38.75 91.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.822 0.344 . . . . 0.0 110.287 173.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.617 ' HG3' HD22 ' A' ' 71' ' ' LEU . 95.2 mttt -66.97 -33.27 75.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.331 179.01 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -67.78 -42.63 81.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.142 0.496 . . . . 0.0 109.788 174.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.36 -32.85 74.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.832 178.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.24 -32.73 73.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.197 178.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -75.85 -15.77 60.17 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.074 0.464 . . . . 0.0 110.375 178.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' A' ' 57' ' ' LYS . 49.0 tttm -112.77 17.69 18.84 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.706 0.765 . . . . 0.0 109.394 -178.297 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.449 ' O ' ' HB2' ' A' ' 59' ' ' ARG . . . -73.98 -26.73 60.62 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.742 -174.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.449 ' HB2' ' O ' ' A' ' 58' ' ' ALA . 24.0 mmt180 70.4 -62.2 0.44 Allowed 'General case' 0 N--CA 1.469 0.496 0 O-C-N 123.745 0.653 . . . . 0.0 111.219 -178.484 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.416 ' OD1' ' HB2' ' A' ' 62' ' ' GLU . 28.2 t-20 -91.09 125.2 59.42 Favored Pre-proline 0 C--N 1.32 -0.693 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.353 -179.225 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_endo -59.91 -33.17 95.94 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 123.325 2.683 . . . . 0.0 113.079 -175.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.416 ' HB2' ' OD1' ' A' ' 60' ' ' ASN . 43.1 mt-10 -67.79 -30.47 69.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.726 -0.215 . . . . 0.0 111.223 -177.483 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt -75.0 -34.27 61.94 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 176.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 23.1 ttt180 -69.01 -34.63 75.58 Favored 'General case' 0 C--O 1.22 -0.492 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.874 175.104 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -55.67 -44.12 76.98 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 120.905 0.383 . . . . 0.0 111.046 177.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.755 HG13 ' HG3' ' A' ' 110' ' ' GLU . 97.1 t -60.91 -52.09 65.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.768 178.144 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.58 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 55.8 mt -66.07 -44.4 91.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.045 -178.083 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.456 ' HA ' HD12 ' A' ' 71' ' ' LEU . 31.7 t70 -59.73 -36.92 77.57 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 122.896 0.479 . . . . 0.0 111.753 -176.437 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.419 ' HD3' ' O ' ' A' ' 69' ' ' LYS . 9.2 tmtt? -59.13 -45.05 91.94 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 177.585 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.471 HG23 ' ND1' ' A' ' 107' ' ' HIS . 43.9 mt -71.75 -37.88 64.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.987 176.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.617 HD22 ' HG3' ' A' ' 52' ' ' LYS . 71.8 mt -55.64 -49.62 72.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.158 0.504 . . . . 0.0 110.958 176.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -69.3 -35.75 76.32 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.101 179.095 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.508 ' HB3' ' CE1' ' A' ' 107' ' ' HIS . 0.5 OUTLIER -63.44 -50.19 70.75 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.999 179.281 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.419 ' O ' HG13 ' A' ' 78' ' ' ILE . 3.3 tp10 -63.08 -35.96 81.99 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.071 -0.968 . . . . 0.0 109.827 -175.484 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.58 -34.86 77.83 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.253 0.549 . . . . 0.0 110.424 174.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 25.1 tptp -67.52 -31.6 71.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.137 178.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.43 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 43.7 m170 -70.99 -48.1 55.11 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.573 0.701 . . . . 0.0 109.954 177.238 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.681 HG23 HG13 ' A' ' 41' ' ' VAL . 93.1 mt -62.11 -42.42 95.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 114.75 -1.114 . . . . 0.0 112.282 -173.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 80' ' ' TRP . 4.5 pt-20 -56.8 -35.54 68.86 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.944 0.402 . . . . 0.0 110.747 179.057 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.575 ' CZ2' HD13 ' A' ' 96' ' ' LEU . 15.5 t-105 -71.44 -58.28 3.66 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.732 179.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 49.1 m-70 -59.61 -40.5 87.72 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -175.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -64.56 -41.23 96.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.73 0.3 . . . . 0.0 110.668 -178.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.94 -33.47 68.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.049 0.452 . . . . 0.0 111.128 178.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 115.702 -0.681 . . . . 0.0 112.701 -176.04 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.309 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 92' ' ' GLN . 13.7 pt-20 -64.11 -44.89 90.88 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -170.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.416 ' N ' ' HG3' ' A' ' 91' ' ' GLU . 19.0 pt20 -68.09 -34.36 76.26 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.113 0.482 . . . . 0.0 110.027 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.426 ' O ' HG23 ' A' ' 97' ' ' VAL . 86.4 t80 -66.11 -46.54 77.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.99 177.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.405 ' HB2' ' HB3' ' A' ' 25' ' ' ALA . . . -58.32 -42.46 86.81 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.351 178.74 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 50.0 m -60.75 -40.6 93.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.104 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.575 HD13 ' CZ2' ' A' ' 80' ' ' TRP . 73.5 mt -72.26 -33.24 67.35 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.167 -178.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 93' ' ' PHE . 98.5 t -71.72 -35.62 56.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.154 0.502 . . . . 0.0 110.486 175.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.39 -44.02 84.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.163 179.439 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -66.89 -34.1 77.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.802 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.43 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 6.7 t-160 -60.24 -43.87 95.72 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 175.17 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.603 HD22 HD11 ' A' ' 22' ' ' LEU . 40.3 tp -60.19 -45.58 92.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.967 179.119 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -61.51 -39.92 92.73 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-O 121.151 0.501 . . . . 0.0 110.575 178.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -59.97 -48.78 80.29 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.475 179.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.403 ' O ' HG23 ' A' ' 108' ' ' VAL . 28.7 mm-40 -64.57 -20.3 66.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.28 -176.01 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.459 ' HG3' ' O ' ' A' ' 101' ' ' LEU . 77.8 mt-30 -63.15 -38.53 91.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.96 0.409 . . . . 0.0 109.94 176.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 25.0 mmt180 -70.07 -33.19 71.6 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.157 175.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.508 ' CE1' ' HB3' ' A' ' 73' ' ' ASP . 14.3 m170 -60.44 -50.21 74.49 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.022 177.543 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 104' ' ' GLU . 58.1 t -63.09 -40.8 90.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.442 -178.52 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -58.0 -48.67 79.34 Favored 'General case' 0 CA--C 1.519 -0.213 0 N-CA-C 111.627 0.232 . . . . 0.0 111.627 -178.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.755 ' HG3' HG13 ' A' ' 66' ' ' VAL . 14.5 tp10 -70.53 -33.45 71.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.887 0.375 . . . . 0.0 110.313 -176.205 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.492 HG12 ' O ' ' A' ' 107' ' ' HIS . 28.7 mm -56.92 -48.86 80.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.074 173.304 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.895 -176.835 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.421 ' HB3' ' HE1' ' A' ' 51' ' ' TYR . 6.9 mp . . . . . 0 N--CA 1.464 0.235 0 CA-C-O 120.611 0.243 . . . . 0.0 111.141 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.562 ' O ' ' HG2' ' A' ' 12' ' ' GLN . 55.3 mt -64.8 -33.82 76.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.932 -179.623 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 53.0 tttp -59.03 -38.2 78.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.535 -173.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.18 -46.32 74.33 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 111.548 0.203 . . . . 0.0 111.548 -177.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -64.37 -37.71 88.47 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 121.007 0.432 . . . . 0.0 109.946 178.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.562 ' HG2' ' O ' ' A' ' 8' ' ' LEU . 85.3 mm-40 -66.28 -43.36 86.63 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.8 176.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.437 ' O ' HG13 ' A' ' 17' ' ' ILE . 8.4 mm-40 -62.34 -41.32 98.47 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.505 -179.432 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.6 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -58.66 -46.38 93.41 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.699 -0.763 . . . . 0.0 111.987 179.334 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.472 ' HA ' HD12 ' A' ' 18' ' ' LEU . 68.2 mt -61.27 -42.1 92.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.818 0.342 . . . . 0.0 110.779 178.366 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.755 ' HA ' ' HE2' ' A' ' 19' ' ' LYS . 80.1 tttt -58.25 -47.44 83.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.666 178.597 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.55 ' O ' HG23 ' A' ' 21' ' ' VAL . 70.5 mt -63.47 -39.46 85.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.443 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.6 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 95.7 mt -56.75 -39.49 74.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.289 -178.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.755 ' HE2' ' HA ' ' A' ' 16' ' ' LYS . 42.9 mtmt -61.15 -45.86 92.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.28 0.562 . . . . 0.0 110.591 179.409 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.02 -32.18 63.26 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.621 -177.539 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.667 HG21 HD11 ' A' ' 40' ' ' ILE . 64.9 t -59.85 -49.77 82.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.795 -0.184 . . . . 0.0 111.181 177.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 19' ' ' LYS . 4.3 pp -66.69 -34.25 77.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.335 0.588 . . . . 0.0 109.783 177.076 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.17 -47.65 85.21 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.422 178.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 32.9 tptt -78.12 -22.33 49.03 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.872 -175.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.525 ' HA ' HD11 ' A' ' 33' ' ' LEU . . . -64.64 -36.01 82.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.49 177.099 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -71.83 -27.43 62.9 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.452 177.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -74.04 -43.17 58.81 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.073 176.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.8 37.68 5.16 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.687 -0.768 . . . . 0.0 114.337 169.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -97.19 106.26 18.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 117.526 0.663 . . . . 0.0 109.476 172.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -66.93 -38.74 86.73 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.487 -175.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -63.64 -44.17 94.65 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 120.807 0.337 . . . . 0.0 110.642 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.502 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 7.6 tp10 -64.35 -47.21 80.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.889 176.626 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.525 HD11 ' HA ' ' A' ' 25' ' ' ALA . 25.5 mt -56.82 -40.77 76.61 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.821 -179.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.18 -45.5 91.48 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.757 0.313 . . . . 0.0 110.981 178.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 13.5 ttp180 -66.37 -41.66 89.12 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.063 178.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.579 ' HB3' HG22 ' A' ' 21' ' ' VAL . 97.7 mt -59.87 -45.45 92.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.789 0.328 . . . . 0.0 110.605 178.314 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -59.82 -42.87 94.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.271 178.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 64.8 mm-40 -66.67 -36.84 83.49 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.378 177.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -67.04 -37.59 84.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.737 -178.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.667 HD11 HG21 ' A' ' 21' ' ' VAL . 74.9 mt -56.94 -47.04 83.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.248 176.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.411 HG13 ' CG2' ' A' ' 78' ' ' ILE . 94.7 t -54.07 -48.18 65.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.889 179.517 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.42 ' HD3' ' HA ' ' A' ' 42' ' ' LYS . 51.2 mmtt -63.29 -45.67 90.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.767 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.03 -46.77 86.0 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.395 -177.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.514 ' O ' HG23 ' A' ' 48' ' ' VAL . 4.8 mt-10 -71.21 -35.74 71.63 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.416 -178.284 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.509 ' HG2' HD13 ' A' ' 78' ' ' ILE . 18.2 mmtm -59.23 -41.24 88.2 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 120.777 0.323 . . . . 0.0 111.333 176.24 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 47.1 tp60 -63.2 -40.65 98.11 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.43 -41.58 97.97 Favored Glycine 0 N--CA 1.451 -0.367 0 CA-C-N 115.716 -0.674 . . . . 0.0 112.057 177.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 44' ' ' GLU . 92.6 t -58.3 -47.45 87.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.555 0.217 . . . . 0.0 111.183 178.181 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 74.3 tttt -63.06 -45.67 91.07 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.71 -0.223 . . . . 0.0 111.574 -176.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 33.8 m -69.72 -30.59 45.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 120.72 0.295 . . . . 0.0 110.996 -179.321 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.421 ' HE1' ' HB3' ' A' ' 7' ' ' LEU . 5.5 m-30 -68.06 -39.95 82.89 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 174.665 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.447 ' CG ' HD11 ' A' ' 71' ' ' LEU . 25.7 mtpp -60.71 -38.85 86.45 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.034 176.239 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -57.11 -47.42 81.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.582 177.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.05 -38.67 66.4 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.771 179.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.91 -47.97 70.11 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -176.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -75.41 -7.51 54.26 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.932 0.396 . . . . 0.0 111.494 -179.273 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -120.44 20.75 11.83 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.506 178.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -79.62 130.41 35.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.265 0.555 . . . . 0.0 112.113 -173.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 60.4 ttt180 -93.92 -31.27 14.36 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.459 175.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -99.07 116.65 65.08 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.327 -179.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -68.15 -32.89 26.32 Favored 'Trans proline' 0 C--O 1.234 0.318 0 C-N-CA 122.954 2.436 . . . . 0.0 112.913 -176.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -64.24 -45.37 88.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.88 -175.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -75.81 -31.51 59.44 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.767 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -64.87 -36.82 85.58 Favored 'General case' 0 C--O 1.221 -0.429 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 179.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.78 -44.9 90.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.867 0.365 . . . . 0.0 110.234 177.235 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 54.3 t -62.98 -50.07 81.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.485 178.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 80.8 mt -61.32 -44.9 99.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.808 179.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -56.07 -48.94 75.11 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 123.046 0.538 . . . . 0.0 111.292 -176.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.487 ' HE3' ' HA ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -67.82 -44.6 76.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.814 -178.582 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.467 HG23 ' ND1' ' A' ' 107' ' ' HIS . 31.4 mt -68.66 -38.39 78.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.677 0.275 . . . . 0.0 111.059 -179.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.447 HD11 ' CG ' ' A' ' 52' ' ' LYS . 6.7 tt -56.29 -49.08 75.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.454 0.645 . . . . 0.0 109.625 174.017 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -64.37 -39.03 93.08 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.989 -179.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.45 ' HB3' ' CE1' ' A' ' 107' ' ' HIS . 0.8 OUTLIER -66.47 -44.21 83.33 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.422 178.487 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -60.93 -38.63 86.49 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.109 -0.951 . . . . 0.0 110.619 -175.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -69.9 -35.0 74.26 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-O 121.291 0.567 . . . . 0.0 110.173 175.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -63.95 -33.31 75.44 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.398 178.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.413 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 62.5 m170 -60.16 -48.33 82.18 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.304 0.573 . . . . 0.0 110.376 176.137 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.509 HD13 ' HG2' ' A' ' 45' ' ' LYS . 73.7 mt -64.26 -42.24 94.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.663 -177.345 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -57.7 -40.37 79.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.552 175.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 25.2 t-105 -67.2 -51.12 57.3 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -56.04 -40.08 72.96 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 120.757 0.313 . . . . 0.0 111.188 178.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 26.2 ttmt -63.08 -48.19 79.69 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.801 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.08 -29.91 65.89 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.709 -176.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.41 0 CA-C-O 120.918 0.39 . . . . 0.0 111.326 -178.861 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.236 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -69.82 -48.98 56.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.861 0.362 . . . . 0.0 110.938 -173.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.444 ' O ' ' HG ' ' A' ' 96' ' ' LEU . 25.6 mt-30 -69.49 -35.62 75.74 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.308 0.575 . . . . 0.0 110.087 177.586 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.502 ' O ' HG23 ' A' ' 97' ' ' VAL . 55.4 t80 -62.69 -45.52 92.4 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.024 -0.989 . . . . 0.0 111.169 -177.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.15 -36.96 83.4 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.8 0.333 . . . . 0.0 110.942 179.009 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 17.6 m -64.4 -35.83 82.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.733 178.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 92' ' ' GLN . 94.2 mt -68.66 -35.78 77.69 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.594 178.432 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 93' ' ' PHE . 57.4 t -62.7 -38.53 81.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.018 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -60.19 -38.15 82.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.816 0.341 . . . . 0.0 111.006 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -70.27 -42.39 72.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.421 -179.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.432 ' O ' ' HG2' ' A' ' 104' ' ' GLU . 4.3 t-160 -63.27 -43.43 97.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.787 178.368 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.466 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 44.3 tp -61.53 -48.12 82.46 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.319 -178.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -60.27 -41.16 92.69 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-O 121.288 0.566 . . . . 0.0 110.416 178.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -61.1 -49.13 78.55 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.301 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' A' ' 100' ' ' HIS . 18.4 mm-40 -65.99 -26.84 67.73 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.205 -177.064 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.466 ' HG3' ' O ' ' A' ' 101' ' ' LEU . 78.3 mt-30 -60.88 -46.64 89.81 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 175.123 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 31.3 mmm180 -66.8 -31.81 72.68 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.268 178.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.505 ' O ' HG12 ' A' ' 111' ' ' ILE . 10.7 m170 -59.33 -50.87 72.34 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.975 0.417 . . . . 0.0 110.128 175.245 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 95.5 t -67.79 -43.33 86.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.393 -178.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.456 ' HG3' ' O ' ' A' ' 105' ' ' GLN . 46.2 mt-10 -58.85 -35.63 73.24 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 120.799 0.333 . . . . 0.0 110.974 179.08 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 19.8 tp10 -71.71 -45.03 63.11 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.708 178.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.505 HG12 ' O ' ' A' ' 107' ' ' HIS . 33.4 mm -62.28 -60.67 2.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-O 121.04 0.448 . . . . 0.0 111.067 179.65 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 . . . . . 0 N--CA 1.444 -0.753 0 CA-C-O 121.475 0.655 . . . . 0.0 110.686 -170.466 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 22.3 mt . . . . . 0 CA--C 1.529 0.17 0 CA-C-O 120.677 0.275 . . . . 0.0 111.518 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 80.2 mt -63.57 -30.87 71.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.03 0.443 . . . . 0.0 111.477 -176.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -60.91 -33.49 73.21 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.847 -176.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.06 -46.43 87.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.772 -0.195 . . . . 0.0 111.482 -178.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -66.2 -37.28 85.21 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.791 0.329 . . . . 0.0 110.219 177.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 78.2 mm-40 -61.75 -43.09 99.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.342 175.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -62.73 -43.12 99.62 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.184 178.134 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.56 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -59.89 -47.64 90.01 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.557 -0.83 . . . . 0.0 111.992 179.201 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 76.5 mt -64.47 -41.35 92.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.143 0.496 . . . . 0.0 110.074 178.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.406 ' HA ' ' HD3' ' A' ' 19' ' ' LYS . 87.9 tttt -57.13 -45.71 83.28 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.145 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.47 ' O ' HG23 ' A' ' 21' ' ' VAL . 67.2 mt -69.51 -40.29 79.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.789 178.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.56 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 95.2 mt -58.2 -42.47 86.22 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 120.911 0.386 . . . . 0.0 110.58 177.106 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.406 ' HD3' ' HA ' ' A' ' 16' ' ' LYS . 53.8 mtpt -56.72 -36.94 70.29 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.174 175.103 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -69.91 -39.99 75.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.394 177.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.473 HG21 HD11 ' A' ' 40' ' ' ILE . 60.0 t -60.45 -39.77 82.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.121 177.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 95.9 mt -55.94 -41.94 75.42 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 177.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.7 mmmt -72.22 -46.78 54.7 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.093 179.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.599 ' HG2' ' HG2' ' A' ' 32' ' ' GLU . 1.6 mptm? -72.48 -18.2 61.69 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -175.38 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.62 98.42 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.831 0.348 . . . . 0.0 110.575 176.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -72.07 -19.67 61.78 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.782 -179.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.493 ' HG2' ' HA ' ' A' ' 24' ' ' LYS . 33.1 mm-40 -62.07 -26.59 68.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.969 0.414 . . . . 0.0 110.453 177.42 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 74.75 30.71 59.32 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.961 -0.637 . . . . 0.0 112.447 178.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.411 ' OD2' ' HB3' ' A' ' 31' ' ' GLN . 22.9 t70 -121.92 120.66 35.12 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.066 0.46 . . . . 0.0 110.592 -179.408 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -87.26 -18.53 30.01 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.72 -175.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.411 ' HB3' ' OD2' ' A' ' 29' ' ' ASP . 7.8 tt0 -63.08 -47.74 81.62 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.029 176.082 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.599 ' HG2' ' HG2' ' A' ' 24' ' ' LYS . 3.9 tp10 -65.17 -42.66 93.46 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.44 175.249 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 76.4 mt -56.75 -44.03 81.34 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.118 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.74 -44.82 96.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.657 178.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -59.6 -49.94 75.79 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.087 177.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.551 ' O ' HG13 ' A' ' 40' ' ' ILE . 88.4 mt -63.01 -44.32 96.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.726 -179.084 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.487 ' HA ' HD12 ' A' ' 40' ' ' ILE . 6.6 t30 -57.96 -40.56 80.87 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.715 -179.073 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -68.74 -39.57 80.27 Favored 'General case' 0 N--CA 1.437 -1.122 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.057 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -66.8 -32.23 73.38 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.648 -0.251 . . . . 0.0 110.788 178.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.551 HG13 ' O ' ' A' ' 36' ' ' LEU . 87.9 mt -57.79 -49.64 80.24 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.121 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 173.475 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.492 HG22 HG23 ' A' ' 78' ' ' ILE . 95.4 t -56.52 -46.55 82.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.872 177.074 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -62.54 -44.45 96.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.271 -179.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.73 -47.19 63.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.4 -177.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.484 ' O ' HG23 ' A' ' 48' ' ' VAL . 42.7 mt-10 -66.33 -41.32 89.8 Favored 'General case' 0 C--O 1.223 -0.327 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.906 -177.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.537 ' HA ' ' HB ' ' A' ' 48' ' ' VAL . 49.6 mttt -69.72 -28.57 65.93 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 178.656 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 22.2 tp60 -59.39 -42.28 91.35 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 170.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -68.83 -45.62 63.77 Favored Glycine 0 N--CA 1.45 -0.432 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.967 173.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.537 ' HB ' ' HA ' ' A' ' 45' ' ' LYS . 69.1 t -54.18 -38.26 38.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.506 0.193 . . . . 0.0 110.827 177.308 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 49.4 tptt -56.93 -52.4 65.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.024 -179.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 16.9 m -72.51 -35.33 50.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.959 -178.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -72.12 -37.35 69.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.767 -0.197 . . . . 0.0 111.513 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.506 ' HE2' HD11 ' A' ' 71' ' ' LEU . 33.4 ttmt -65.85 -32.52 74.09 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.162 0.506 . . . . 0.0 110.033 178.178 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.84 -44.53 76.97 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.594 173.466 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.01 -32.53 69.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.143 -0.935 . . . . 0.0 112.442 -176.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.425 ' O ' ' HG2' ' A' ' 64' ' ' ARG . . . -58.1 -37.73 75.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.088 0.47 . . . . 0.0 111.856 -177.44 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -91.31 8.88 33.84 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.451 -178.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.432 ' HE3' ' HB2' ' A' ' 57' ' ' LYS . 34.2 ttmt -144.95 26.5 1.36 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.611 0.72 . . . . 0.0 109.914 -174.413 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.96 -13.76 59.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.43 -0.805 . . . . 0.0 112.381 -174.002 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 54.8 mmm-85 71.58 -63.26 0.43 Allowed 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.196 0.598 . . . . 0.0 111.509 178.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -88.24 141.5 30.96 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.952 -178.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_endo -58.94 -36.0 97.62 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.828 2.352 . . . . 0.0 112.433 178.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.42 ' O ' HG23 ' A' ' 66' ' ' VAL . 47.2 tt0 -64.4 -44.78 90.2 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-O 120.848 0.356 . . . . 0.0 110.296 179.313 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -62.76 -42.85 99.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.828 178.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.444 ' NH1' ' HB2' ' A' ' 68' ' ' ASP . 0.1 OUTLIER -60.68 -41.65 95.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.512 -178.515 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.69 -45.43 65.01 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.328 -179.681 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 62' ' ' GLU . 79.7 t -62.06 -48.19 89.64 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-O 120.825 0.345 . . . . 0.0 110.927 -178.305 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 78.7 mt -61.8 -40.75 88.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.551 179.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.444 ' HB2' ' NH1' ' A' ' 64' ' ' ARG . 24.1 t70 -63.08 -45.08 93.8 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.792 0.33 . . . . 0.0 111.059 -178.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 50.5 tttp -58.76 -46.54 87.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.748 -179.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.432 HG23 ' ND1' ' A' ' 107' ' ' HIS . 22.9 mt -72.77 -38.61 58.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.311 179.422 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.506 HD11 ' HE2' ' A' ' 52' ' ' LYS . 2.1 tm? -58.92 -48.64 80.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.878 0.371 . . . . 0.0 110.179 179.309 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -65.02 -36.69 85.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.255 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.459 ' HB3' ' CE1' ' A' ' 107' ' ' HIS . 0.9 OUTLIER -70.92 -41.51 71.1 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.482 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.4 ' HB2' ' O ' ' A' ' 70' ' ' ILE . 1.5 tp10 -63.97 -41.61 97.5 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.19 -177.092 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -66.86 -34.55 78.05 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 121.362 0.601 . . . . 0.0 109.682 175.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.451 ' HB3' ' O ' ' A' ' 73' ' ' ASP . 31.9 ttmt -63.5 -40.31 96.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.756 177.416 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.501 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 56.3 m170 -61.07 -47.73 85.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.614 0.721 . . . . 0.0 109.764 177.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.515 ' CD1' ' HG3' ' A' ' 45' ' ' LYS . 76.7 mt -64.21 -44.76 97.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 114.786 -1.097 . . . . 0.0 112.062 -175.525 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.45 ' HG2' ' HA ' ' A' ' 76' ' ' LYS . 4.6 pt-20 -64.01 -32.02 73.42 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.21 178.207 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 22.7 t-105 -68.18 -54.12 20.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.082 177.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 37.1 m-70 -60.27 -39.13 85.75 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.232 -0.44 . . . . 0.0 112.041 178.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 51.6 tptt -60.63 -42.93 97.87 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.675 0.274 . . . . 0.0 110.764 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.01 -43.03 79.76 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.237 -178.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.506 -177.622 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.389 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -68.77 -47.81 65.27 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 -167.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.447 ' O ' ' HG ' ' A' ' 96' ' ' LEU . 2.0 mp0 -67.86 -33.75 75.37 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.984 0.421 . . . . 0.0 110.085 -178.495 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.466 ' O ' HG23 ' A' ' 97' ' ' VAL . 72.6 t80 -55.7 -38.36 69.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.786 175.196 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.77 -38.56 88.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.9 178.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 35.6 m -68.47 -33.23 73.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.452 177.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.463 HD12 ' HA ' ' A' ' 93' ' ' PHE . 85.3 mt -65.42 -34.24 77.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.545 178.551 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 93' ' ' PHE . 49.2 t -64.78 -37.07 79.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.322 177.537 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -62.49 -38.36 89.6 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 176.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -63.92 -41.82 97.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.948 0.404 . . . . 0.0 110.201 177.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.501 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 4.3 t-160 -65.47 -42.97 91.67 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.903 179.503 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.474 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 0.2 OUTLIER -58.31 -46.83 85.41 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.931 178.719 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -68.13 -35.6 78.36 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.895 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -65.96 -47.38 74.78 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.994 -177.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.425 ' O ' HG23 ' A' ' 108' ' ' VAL . 40.9 mm-40 -64.62 -24.48 67.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.608 0.242 . . . . 0.0 110.796 -177.371 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.474 ' HG3' ' O ' ' A' ' 101' ' ' LEU . 77.9 mt-30 -64.17 -37.24 86.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.972 0.415 . . . . 0.0 109.945 175.225 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 4.4 tpm_? -66.71 -38.69 87.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.396 174.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.603 ' O ' HG13 ' A' ' 111' ' ' ILE . 17.0 m170 -60.22 -49.87 75.9 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.129 177.003 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 104' ' ' GLU . 76.0 t -59.57 -43.18 90.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.56 -179.368 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -63.1 -34.04 76.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.788 0.328 . . . . 0.0 111.284 178.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.74 -34.17 73.45 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.879 177.423 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.603 HG13 ' O ' ' A' ' 107' ' ' HIS . 44.5 mt -81.23 -60.32 2.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.512 -177.506 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 . . . . . 0 C--N 1.332 -0.172 0 CA-C-O 121.62 0.724 . . . . 0.0 110.741 -175.614 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.559 ' HB3' ' HE1' ' A' ' 51' ' ' TYR . 72.7 mt . . . . . 0 C--O 1.231 0.085 0 N-CA-C 111.651 0.241 . . . . 0.0 111.651 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 95.8 mt -62.66 -31.59 72.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.817 0.342 . . . . 0.0 111.595 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -61.1 -34.44 74.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.577 -177.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.78 -47.11 85.85 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.871 0.323 . . . . 0.0 111.871 -176.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.433 ' O ' HG13 ' A' ' 15' ' ' ILE . 6.0 tp10 -68.98 -41.51 77.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.948 0.404 . . . . 0.0 110.001 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -60.01 -42.99 95.51 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.232 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 57.1 tp60 -61.19 -43.67 98.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.62 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.499 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -59.91 -46.0 94.88 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.872 -0.68 . . . . 0.0 111.918 178.017 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.512 ' HA ' HD12 ' A' ' 18' ' ' LEU . 67.8 mt -62.25 -39.39 83.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.862 0.363 . . . . 0.0 110.888 179.308 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? -61.17 -46.21 91.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.073 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 64.4 mt -64.68 -37.6 80.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.75 179.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.538 ' HB3' HD21 ' A' ' 101' ' ' LEU . 95.7 mt -57.87 -37.6 74.22 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.123 177.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -62.99 -36.39 83.36 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.092 179.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -72.27 -35.08 68.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.166 0.507 . . . . 0.0 109.938 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.658 HG21 HD11 ' A' ' 40' ' ' ILE . 99.4 t -63.1 -39.6 85.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.917 178.064 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 95.9 mt -55.73 -35.66 66.38 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.824 177.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -71.16 -47.49 57.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.501 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 64.2 mmtt -69.04 -28.63 66.72 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.823 -177.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.88 -40.81 95.7 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.004 0.431 . . . . 0.0 110.612 177.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -72.78 -25.8 61.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.661 177.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -70.33 -42.62 71.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.962 0.41 . . . . 0.0 110.018 173.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.49 33.35 9.38 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.933 -0.651 . . . . 0.0 113.041 174.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.447 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 11.6 t70 -103.01 100.51 10.45 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 175.067 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -70.59 -20.72 62.74 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.444 -174.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -70.33 -48.56 55.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.079 0.466 . . . . 0.0 109.941 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.44 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 48.7 mt-10 -67.49 -38.37 84.25 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.387 176.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 75.2 mt -58.53 -44.1 89.45 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.264 178.442 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.05 -41.72 98.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.868 178.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 63.9 ttt180 -67.03 -38.55 86.11 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 120.7 0.286 . . . . 0.0 110.65 177.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.543 ' O ' HG13 ' A' ' 40' ' ' ILE . 87.5 mt -61.83 -40.32 94.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.249 176.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.523 ' O ' HG23 ' A' ' 41' ' ' VAL . 81.9 m-20 -55.74 -46.99 77.68 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.29 175.542 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -58.69 -44.74 90.38 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.127 176.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 27.6 tp10 -63.85 -38.96 93.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.312 -178.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.658 HD11 HG21 ' A' ' 21' ' ' VAL . 85.9 mt -61.99 -49.12 85.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.368 176.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.587 HG22 HG23 ' A' ' 78' ' ' ILE . 93.4 t -53.78 -45.0 61.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.968 178.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.469 ' HE2' ' O ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -61.89 -43.26 99.22 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.477 179.645 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.67 -46.91 65.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.664 -177.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.44 ' O ' HG23 ' A' ' 48' ' ' VAL . 43.1 mt-10 -68.06 -40.39 82.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.148 -177.282 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.55 ' HG3' HD13 ' A' ' 78' ' ' ILE . 50.8 mttm -62.59 -30.16 71.13 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 116.76 -0.2 . . . . 0.0 111.482 178.177 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 58.3 tp60 -59.29 -43.0 92.59 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 176.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -69.66 -47.03 51.55 Favored Glycine 0 N--CA 1.448 -0.552 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.939 175.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.462 HG11 ' HG2' ' A' ' 75' ' ' GLU . 96.4 t -56.47 -42.56 75.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.68 0.276 . . . . 0.0 111.44 -179.142 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.7 tmtt? -61.53 -50.63 71.92 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.945 -177.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 19.4 m -69.66 -31.02 47.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.992 -178.333 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.559 ' HE1' ' HB3' ' A' ' 7' ' ' LEU . 21.0 m-30 -70.16 -44.22 69.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.358 177.205 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.708 ' HG3' HD21 ' A' ' 71' ' ' LEU . 51.0 mttm -61.61 -40.44 94.83 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.311 179.632 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -67.06 -44.94 78.85 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.465 -178.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.07 -32.44 65.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.363 -178.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.39 -42.37 73.93 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 112.462 0.542 . . . . 0.0 112.462 -173.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -71.49 -19.81 62.15 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.677 0.275 . . . . 0.0 111.357 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 49.6 mttp -106.41 17.39 23.45 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.811 0.339 . . . . 0.0 111.515 -177.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -74.0 130.02 39.03 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.214 176.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.7 mpt_? -88.73 23.52 2.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.902 0.382 . . . . 0.0 110.943 -177.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.512 ' HB3' ' HB2' ' A' ' 63' ' ' LYS . 34.1 t-20 -161.72 124.8 1.83 Allowed Pre-proline 0 C--N 1.322 -0.598 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 -178.048 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.461 ' O ' ' HG2' ' A' ' 65' ' ' GLN . 17.4 Cg_endo -57.49 -47.78 20.26 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.892 2.395 . . . . 0.0 112.787 -176.738 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.416 ' O ' HG23 ' A' ' 66' ' ' VAL . 30.5 mt-10 -67.49 -34.72 77.73 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 121.024 -0.27 . . . . 0.0 110.496 -179.66 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.512 ' HB2' ' HB3' ' A' ' 60' ' ' ASN . 29.2 mmtp -59.08 -39.62 82.7 Favored 'General case' 0 CA--C 1.518 -0.261 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 175.193 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 21.2 ttt180 -68.39 -49.58 59.08 Favored 'General case' 0 C--O 1.219 -0.524 0 C-N-CA 120.451 -0.5 . . . . 0.0 110.287 175.04 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.947 ' HA ' HE21 ' A' ' 65' ' ' GLN . 0.0 OUTLIER -59.38 -36.82 76.48 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -172.883 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 62' ' ' GLU . 62.5 t -59.32 -50.45 79.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.025 0.44 . . . . 0.0 110.214 176.4 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 66.8 mt -69.94 -43.19 79.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.773 178.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.437 ' O ' ' HG2' ' A' ' 72' ' ' GLU . 16.9 t70 -57.07 -45.66 83.09 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 123.348 0.659 . . . . 0.0 111.805 -174.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -59.27 -46.08 89.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.318 0.58 . . . . 0.0 110.514 -179.518 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.586 HG23 ' ND1' ' A' ' 107' ' ' HIS . 65.4 mt -71.76 -37.8 63.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.909 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.708 HD21 ' HG3' ' A' ' 52' ' ' LYS . 5.2 tt -56.8 -51.87 67.28 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.447 178.098 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 68' ' ' ASP . 4.8 mm-40 -69.25 -35.06 75.71 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.915 -178.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.461 ' HB3' ' CE1' ' A' ' 107' ' ' HIS . 0.6 OUTLIER -61.41 -40.28 93.81 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.762 176.096 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.4 ' HB3' HG22 ' A' ' 48' ' ' VAL . 3.0 tp10 -67.66 -41.42 83.81 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.554 -175.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.629 ' HA ' ' OE1' ' A' ' 75' ' ' GLU . 1.3 mm-40 -65.13 -34.68 78.98 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.159 0.505 . . . . 0.0 110.173 172.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.436 ' HB3' ' O ' ' A' ' 73' ' ' ASP . 59.5 tttm -61.89 -37.11 83.35 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.63 176.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.504 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 62.9 m170 -61.91 -44.65 96.35 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 121.442 0.639 . . . . 0.0 110.333 177.412 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.587 HG23 HG22 ' A' ' 41' ' ' VAL . 94.3 mt -63.9 -41.99 94.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.043 -0.98 . . . . 0.0 110.988 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -60.71 -37.57 82.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.868 0.366 . . . . 0.0 110.294 173.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.488 ' HB3' ' O ' ' A' ' 77' ' ' HIS . 29.6 t-105 -61.59 -56.98 14.07 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.91 178.214 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 25.1 m-70 -61.16 -40.24 93.11 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -178.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp -65.41 -40.3 93.21 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.757 0.313 . . . . 0.0 111.029 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.17 -31.98 68.34 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.879 0.371 . . . . 0.0 110.876 178.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.767 -179.107 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -69.38 -43.94 72.49 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 120.672 0.272 . . . . 0.0 110.774 -178.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.576 ' O ' ' HG ' ' A' ' 96' ' ' LEU . 31.6 mm-40 -63.32 -44.26 95.47 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 177.347 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.525 ' O ' HG23 ' A' ' 97' ' ' VAL . 68.2 t80 -61.72 -44.82 96.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.867 -178.412 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.23 -41.63 79.88 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.092 178.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 17.7 m -63.82 -38.99 93.16 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.664 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.576 ' HG ' ' O ' ' A' ' 92' ' ' GLN . 68.3 mt -72.0 -37.26 69.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.027 -178.58 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 93' ' ' PHE . 62.3 t -67.63 -35.89 74.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.43 177.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -59.32 -34.76 72.72 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.674 178.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -63.47 -40.89 98.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.03 0.443 . . . . 0.0 110.084 177.003 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.504 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 5.4 t-160 -61.98 -41.81 98.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.791 178.631 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.538 HD21 ' HB3' ' A' ' 18' ' ' LEU . 3.8 mm? -59.74 -48.22 82.53 Favored 'General case' 0 C--O 1.231 0.094 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.288 178.614 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -61.4 -40.08 93.08 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 121.059 0.457 . . . . 0.0 110.833 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -62.89 -49.13 76.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.29 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -66.99 -25.05 66.12 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.381 -176.037 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.492 ' HG3' ' O ' ' A' ' 101' ' ' LEU . 80.7 mt-30 -61.49 -45.72 93.05 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 176.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 25.5 ttt85 -68.56 -31.71 71.12 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.206 176.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.688 ' O ' HG13 ' A' ' 111' ' ' ILE . 7.3 m170 -57.51 -50.86 71.69 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.198 179.189 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 70.8 t -58.97 -37.89 70.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.802 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.417 ' HG3' ' O ' ' A' ' 105' ' ' GLN . 46.5 mt-10 -63.48 -48.31 78.17 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.949 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.563 ' HB2' HD11 ' A' ' 70' ' ' ILE . 25.5 mt-10 -71.6 -29.57 64.84 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.847 -176.126 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.688 HG13 ' O ' ' A' ' 107' ' ' HIS . 73.2 mt -64.66 -77.6 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-O 120.694 0.283 . . . . 0.0 111.587 -179.711 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.402 ' HG2' ' H ' ' A' ' 112' ' ' GLU . 9.3 pt-20 . . . . . 0 C--N 1.33 -0.259 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -171.357 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 76.3 mt . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.966 0.412 . . . . 0.0 110.762 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.416 ' O ' ' HG2' ' A' ' 12' ' ' GLN . 66.6 mt -60.0 -46.7 88.61 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.57 -179.118 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.475 ' HG2' ' OE1' ' A' ' 13' ' ' GLN . 18.7 ttpp -59.43 -37.1 77.22 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.186 -176.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.56 -46.96 74.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.289 -177.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.427 ' O ' HG12 ' A' ' 15' ' ' ILE . 6.1 mm-40 -68.71 -38.0 79.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.539 -0.301 . . . . 0.0 110.4 179.265 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.416 ' HG2' ' O ' ' A' ' 8' ' ' LEU . 85.5 mm-40 -62.91 -36.84 84.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.812 177.344 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.475 ' OE1' ' HG2' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -65.51 -44.68 86.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.591 176.502 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.536 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -59.17 -46.6 93.55 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.547 -0.835 . . . . 0.0 111.618 176.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.427 HG12 ' O ' ' A' ' 11' ' ' GLU . 41.1 mm -58.62 -44.8 90.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.752 0.31 . . . . 0.0 110.375 176.655 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.9 mmmt -56.09 -44.47 79.06 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.467 -178.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.537 ' O ' HG23 ' A' ' 21' ' ' VAL . 56.8 mt -69.33 -42.82 81.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.548 178.299 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.572 ' HB3' HD21 ' A' ' 101' ' ' LEU . 94.7 mt -57.52 -37.1 72.48 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.312 -179.545 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.402 ' HG2' ' O ' ' A' ' 15' ' ' ILE . 55.1 mmtt -56.69 -45.56 81.72 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.113 0.482 . . . . 0.0 110.849 177.744 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -74.33 -34.2 63.37 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.053 -176.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.617 HG21 HD11 ' A' ' 40' ' ' ILE . 86.2 t -59.98 -41.07 84.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.854 178.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 97.7 mt -56.99 -35.34 69.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.118 0.485 . . . . 0.0 110.633 178.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -72.16 -46.8 54.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.756 178.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.458 ' HD3' ' HA ' ' A' ' 24' ' ' LYS . 70.0 mmtt -73.15 -26.98 61.41 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.928 -175.242 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.87 -35.65 78.9 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.273 0.559 . . . . 0.0 109.731 173.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -72.52 -20.42 61.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.396 179.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -84.97 -22.03 29.32 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.753 175.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 70.06 38.96 73.92 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.953 -0.642 . . . . 0.0 111.903 -177.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -102.52 107.13 17.98 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.777 0.322 . . . . 0.0 110.51 -177.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -69.04 -32.05 71.26 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.864 -177.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -70.27 -45.94 65.36 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-O 120.864 0.364 . . . . 0.0 110.406 -177.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -64.73 -44.13 91.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.345 176.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 28.8 mt -59.86 -41.35 91.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.44 178.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.78 -45.27 90.47 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.746 0.308 . . . . 0.0 110.981 179.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.9 ttm-85 -62.84 -48.69 77.99 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.294 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.596 ' O ' HG13 ' A' ' 40' ' ' ILE . 91.1 mt -64.19 -45.67 87.33 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.018 -179.107 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.442 ' HA ' HD12 ' A' ' 40' ' ' ILE . 64.0 t30 -58.04 -44.3 87.3 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.172 0.51 . . . . 0.0 110.354 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.469 HE21 ' CA ' ' A' ' 38' ' ' GLN . 0.0 OUTLIER -61.46 -44.01 97.86 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.176 178.848 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -71.49 -29.38 64.75 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.82 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.617 HD11 HG21 ' A' ' 21' ' ' VAL . 87.0 mt -56.73 -49.07 79.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 172.413 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.3 t -55.57 -40.8 61.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.364 177.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.456 ' HG2' ' O ' ' A' ' 38' ' ' GLN . 33.6 mmtp -58.02 -47.24 83.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.498 177.625 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.88 -47.64 61.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.581 -176.258 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.494 ' O ' HG23 ' A' ' 48' ' ' VAL . 6.1 mm-40 -60.5 -46.3 90.63 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.442 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.607 ' HE2' HG21 ' A' ' 78' ' ' ILE . 69.6 mmtt -62.36 -42.84 99.72 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 120.782 0.325 . . . . 0.0 111.31 179.023 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 21.4 tm0? -63.89 -43.48 95.86 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 -179.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.64 -46.76 93.46 Favored Glycine 0 N--CA 1.447 -0.584 0 CA-C-N 115.663 -0.699 . . . . 0.0 112.069 177.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 44' ' ' GLU . 65.6 t -54.31 -40.49 48.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.751 0.31 . . . . 0.0 111.019 178.035 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.45 ' HB2' ' NZ ' ' A' ' 49' ' ' LYS . 0.1 OUTLIER -64.87 -42.28 94.97 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.581 -179.183 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 23.9 t -69.22 -37.01 75.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.082 0.468 . . . . 0.0 110.182 177.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.554 ' HB3' ' HG ' ' A' ' 71' ' ' LEU . 18.1 m-85 -64.72 -39.4 93.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.908 176.508 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.747 ' HD3' HD11 ' A' ' 71' ' ' LEU . 65.0 mmtt -58.19 -32.98 68.77 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 121.036 0.446 . . . . 0.0 110.533 176.064 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -67.51 -50.64 57.9 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.688 177.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.47 -46.97 44.98 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -176.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.42 -40.61 97.64 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.821 0.344 . . . . 0.0 111.882 -173.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -77.37 -0.85 27.24 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.78 0.324 . . . . 0.0 110.981 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -130.49 25.64 5.1 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.703 -178.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.416 ' HB3' ' HG3' ' A' ' 64' ' ' ARG . . . -74.72 156.86 36.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.306 -177.088 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 20.4 ttm-85 -90.47 -38.8 13.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.545 -173.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -122.89 135.47 25.84 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.204 -176.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -53.8 -47.7 25.74 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 123.059 2.506 . . . . 0.0 112.823 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -59.89 -42.62 94.2 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.842 0.353 . . . . 0.0 111.016 179.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 45.1 mtpt -72.21 -35.23 68.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.173 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.416 ' HG3' ' HB3' ' A' ' 58' ' ' ALA . 2.5 ttp180 -62.37 -41.62 98.77 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.914 177.396 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.52 -34.02 72.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.463 -178.528 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 57.6 t -64.27 -52.22 58.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 121.064 0.459 . . . . 0.0 110.214 176.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 57.8 mt -65.72 -39.09 83.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.674 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -60.19 -49.0 79.38 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.951 -177.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.483 ' O ' ' HB2' ' A' ' 73' ' ' ASP . 44.4 mttm -63.35 -41.09 98.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.609 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.472 HG23 ' ND1' ' A' ' 107' ' ' HIS . 38.5 mt -66.05 -38.68 82.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.931 0.396 . . . . 0.0 110.751 178.791 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.747 HD11 ' HD3' ' A' ' 52' ' ' LYS . 4.5 tt -60.5 -52.03 66.91 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.103 179.569 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.499 ' OE1' HD22 ' A' ' 71' ' ' LEU . 5.0 mm-40 -68.83 -33.13 73.32 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.329 -178.356 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.884 ' HA ' ' HE3' ' A' ' 76' ' ' LYS . 0.8 OUTLIER -60.74 -40.86 93.97 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.451 178.67 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.488 ' O ' HG13 ' A' ' 78' ' ' ILE . 1.2 tp10 -60.41 -36.92 79.26 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.68 -175.247 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.401 ' HA ' HD12 ' A' ' 78' ' ' ILE . 65.6 mm-40 -66.53 -39.46 88.63 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.689 0.281 . . . . 0.0 110.944 174.304 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.884 ' HE3' ' HA ' ' A' ' 73' ' ' ASP . 5.2 mtmp? -62.54 -32.48 73.44 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.909 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 48.5 m170 -64.16 -47.68 78.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.582 0.706 . . . . 0.0 109.844 174.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.607 HG21 ' HE2' ' A' ' 45' ' ' LYS . 73.3 mt -57.75 -36.96 57.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 114.575 -1.193 . . . . 0.0 111.194 -177.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -54.19 -38.61 65.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.802 178.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.595 ' HZ2' ' HA ' ' A' ' 93' ' ' PHE . 23.0 t-105 -71.22 -53.89 12.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.786 0.327 . . . . 0.0 110.713 177.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 74.6 m-70 -59.98 -35.24 74.58 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.733 -176.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 58.3 tttm -72.72 -36.08 67.7 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.877 0.37 . . . . 0.0 110.46 177.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.06 -32.76 73.33 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.935 0.398 . . . . 0.0 110.892 179.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.142 177.67 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.124 0 N-CA-C 112.289 0.478 . . . . 0.0 112.289 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -63.94 -50.0 70.36 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 121.091 -0.244 . . . . 0.0 111.526 -175.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -68.65 -35.07 76.77 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.178 0.513 . . . . 0.0 110.177 -179.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.595 ' HA ' ' HZ2' ' A' ' 80' ' ' TRP . 88.4 t80 -61.56 -52.29 65.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.342 178.312 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.81 -47.26 85.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.753 -177.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 30.9 m -60.38 -42.04 95.03 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.26 -178.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 9.5 mp -73.23 -33.06 65.11 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.771 0.285 . . . . 0.0 111.771 179.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 93' ' ' PHE . 58.5 t -64.68 -36.98 78.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.002 0.429 . . . . 0.0 110.135 175.648 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 23.9 tm0? -60.18 -33.46 72.25 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.171 176.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -68.87 -40.39 79.3 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 120.904 0.383 . . . . 0.0 110.462 174.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 7.9 t-160 -57.82 -37.76 74.36 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.585 176.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.572 HD21 ' HB3' ' A' ' 18' ' ' LEU . 3.3 mm? -60.08 -48.76 80.37 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.328 176.752 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.433 ' O ' ' HB2' ' A' ' 105' ' ' GLN . 54.9 mt-30 -64.83 -35.37 80.89 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 121.115 0.484 . . . . 0.0 110.817 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -66.28 -50.2 64.5 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.517 -179.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -69.51 -19.4 63.73 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.961 -0.296 . . . . 0.0 110.298 -177.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.55 ' HG3' ' O ' ' A' ' 101' ' ' LEU . 74.2 mt-30 -60.44 -46.97 88.12 Favored 'General case' 0 CA--C 1.517 -0.307 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 172.221 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 3.7 mmt180 -68.68 -32.18 71.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.497 177.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.623 ' O ' HG13 ' A' ' 111' ' ' ILE . 12.0 m170 -58.63 -50.9 72.16 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.998 0.428 . . . . 0.0 109.9 175.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 77.6 t -68.22 -43.55 84.7 Favored 'Isoleucine or valine' 0 C--O 1.236 0.382 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.717 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.461 ' HG2' ' O ' ' A' ' 105' ' ' GLN . 27.8 mm-40 -59.08 -35.69 73.81 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.741 0.305 . . . . 0.0 111.437 -178.491 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.22 -29.87 66.81 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.814 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.623 HG13 ' O ' ' A' ' 107' ' ' HIS . 18.3 mt -87.98 -73.1 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 N-CA-C 112.038 0.384 . . . . 0.0 112.038 -175.505 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 . . . . . 0 C--O 1.234 0.248 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 -167.48 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 63.2 mt . . . . . 0 N--CA 1.464 0.245 0 CA-C-O 120.504 0.192 . . . . 0.0 111.488 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 45.1 mt -65.6 -48.62 71.65 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.853 0.359 . . . . 0.0 111.005 177.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 13' ' ' GLN . 22.4 pttp -71.5 -32.72 68.53 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.691 -0.403 . . . . 0.0 111.497 -177.022 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.61 -47.3 70.06 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.564 0.209 . . . . 0.0 111.564 -179.016 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -66.81 -50.06 63.81 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.063 0.458 . . . . 0.0 110.041 -179.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -61.46 -31.69 71.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.95 178.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.464 ' O ' HG13 ' A' ' 17' ' ' ILE . 9.4 tt0 -59.12 -46.17 89.02 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 177.664 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.504 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -60.57 -45.56 96.08 Favored Glycine 0 N--CA 1.448 -0.511 0 N-CA-C 111.321 -0.712 . . . . 0.0 111.321 177.002 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.573 ' HA ' HD12 ' A' ' 18' ' ' LEU . 71.8 mt -59.19 -42.46 86.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.791 0.329 . . . . 0.0 111.014 177.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -62.36 -40.93 98.04 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.978 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.497 HD13 ' HB3' ' A' ' 39' ' ' GLU . 62.0 mt -69.37 -36.4 71.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.392 177.583 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.573 HD12 ' HA ' ' A' ' 15' ' ' ILE . 98.4 mt -57.8 -37.33 73.55 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.53 175.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -58.74 -38.04 77.51 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.072 177.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -67.34 -40.18 85.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.241 177.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.499 HG21 HD11 ' A' ' 40' ' ' ILE . 58.0 t -61.96 -41.27 90.29 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.359 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.86 -179.644 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 96.3 mt -55.75 -41.32 73.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.778 0.323 . . . . 0.0 111.584 -178.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -73.81 -39.68 63.9 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.914 0.388 . . . . 0.0 111.719 179.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.661 ' HG2' ' HG2' ' A' ' 32' ' ' GLU . 1.5 mptm? -83.67 -15.87 47.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.977 -175.461 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.51 ' HB1' ' HB2' ' A' ' 94' ' ' ALA . . . -56.97 -37.08 71.08 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.629 0.252 . . . . 0.0 111.467 178.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -72.5 -19.97 61.44 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.986 0.422 . . . . 0.0 110.564 178.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -78.36 -53.65 7.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.975 178.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.0 18.7 64.55 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.959 -0.639 . . . . 0.0 112.91 177.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -71.35 125.06 25.99 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.894 0.378 . . . . 0.0 110.359 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -69.2 -38.73 78.77 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.674 -0.693 . . . . 0.0 111.879 -173.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -69.63 -43.29 72.98 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.977 0.417 . . . . 0.0 110.671 -178.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.661 ' HG2' ' HG2' ' A' ' 24' ' ' LYS . 6.5 tp10 -60.58 -49.23 78.35 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.002 173.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 33' ' ' LEU . 18.9 mt -61.02 -39.52 90.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.612 -179.513 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.9 -46.11 90.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.558 0.218 . . . . 0.0 110.926 179.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 36.0 ttt180 -63.18 -49.95 72.28 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-O 120.892 0.377 . . . . 0.0 111.236 178.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.489 ' O ' HG13 ' A' ' 40' ' ' ILE . 93.8 mt -62.77 -45.78 91.09 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.778 -176.237 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.474 ' O ' HG23 ' A' ' 41' ' ' VAL . 66.8 t30 -59.57 -47.68 84.61 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.14 -179.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -61.41 -45.74 93.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.753 -179.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.497 ' HB3' HD13 ' A' ' 17' ' ' ILE . 30.5 mt-10 -65.44 -36.25 83.35 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 121.114 -0.235 . . . . 0.0 111.414 -177.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.499 HD11 HG21 ' A' ' 21' ' ' VAL . 97.0 mt -60.61 -49.26 85.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 175.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 37' ' ' ASN . 90.1 t -55.45 -42.02 65.7 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.23 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 26.6 mtmm -62.69 -41.8 99.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.625 0.25 . . . . 0.0 110.999 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.14 -47.14 68.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.554 -178.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.453 ' O ' HG23 ' A' ' 48' ' ' VAL . 7.9 mm-40 -58.2 -46.76 85.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.28 178.51 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.539 ' HE2' HG21 ' A' ' 78' ' ' ILE . 62.5 mmtt -62.49 -39.98 95.22 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.952 -178.434 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.424 ' O ' HG23 ' A' ' 50' ' ' VAL . 58.3 tp60 -60.82 -44.37 97.01 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.881 -0.415 . . . . 0.0 109.881 179.609 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.7 -47.89 85.61 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.583 -0.818 . . . . 0.0 111.908 177.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.501 HG13 ' HG ' ' A' ' 71' ' ' LEU . 82.9 t -56.97 -44.01 81.79 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 CA-C-O 120.748 0.308 . . . . 0.0 110.983 179.062 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.7 tmtt? -57.73 -46.0 85.03 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.539 -178.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 46' ' ' GLN . 43.4 t -69.13 -42.91 81.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.743 179.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -59.04 -47.4 85.36 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.813 178.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.449 ' HB2' HD11 ' A' ' 71' ' ' LEU . 64.2 tttm -63.37 -44.02 95.98 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.917 0.389 . . . . 0.0 110.608 179.682 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -58.73 -47.35 84.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.902 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.01 -39.71 69.02 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.58 -179.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.35 -45.0 95.03 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -176.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -85.9 8.24 21.04 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.863 0.363 . . . . 0.0 111.132 -177.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -133.88 18.94 3.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.622 0.725 . . . . 0.0 109.355 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -84.99 172.38 11.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.428 -0.806 . . . . 0.0 111.234 -175.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 61.2 mtp180 -119.74 16.15 12.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.7 -178.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.465 ' HA ' ' HD3' ' A' ' 61' ' ' PRO . 28.5 t-20 -151.77 121.82 3.56 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.702 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' A' ' 60' ' ' ASN . 25.3 Cg_exo -63.57 -41.94 23.26 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 123.153 2.569 . . . . 0.0 113.205 -177.029 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.426 ' O ' ' HB3' ' A' ' 65' ' ' GLN . 6.7 tp10 -67.18 -40.51 86.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.079 0.466 . . . . 0.0 110.501 -174.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.482 ' HE2' ' HA ' ' A' ' 63' ' ' LYS . 0.1 OUTLIER -65.69 -38.87 90.45 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.755 177.599 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 19.0 ttp85 -61.34 -41.44 97.06 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.171 177.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.426 ' HB3' ' O ' ' A' ' 62' ' ' GLU . 0.7 OUTLIER -55.45 -43.65 75.62 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 123.732 0.813 . . . . 0.0 111.321 178.805 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 46.6 t -67.11 -46.56 84.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 120.86 0.362 . . . . 0.0 110.568 178.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 80.9 mt -61.54 -38.15 79.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.534 178.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -58.35 -46.64 85.88 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.495 178.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -66.02 -37.86 86.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.946 177.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.443 HD11 ' HG2' ' A' ' 110' ' ' GLU . 77.2 mt -61.81 -42.6 95.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 175.077 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.501 ' HG ' HG13 ' A' ' 48' ' ' VAL . 5.9 tt -63.35 -46.02 88.48 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.684 176.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -58.9 -41.76 88.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.376 179.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.516 ' HB3' ' CE1' ' A' ' 107' ' ' HIS . 43.1 t0 -68.98 -44.71 72.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.326 0.584 . . . . 0.0 110.438 178.273 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.498 ' HB3' HG22 ' A' ' 48' ' ' VAL . 2.5 tp10 -64.01 -39.88 95.09 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.346 -176.413 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.644 ' HA ' ' OE1' ' A' ' 75' ' ' GLU . 1.3 mm-40 -66.01 -35.1 79.66 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-O 120.916 0.388 . . . . 0.0 110.295 173.02 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.473 ' HB3' ' O ' ' A' ' 73' ' ' ASP . 88.1 tttt -60.96 -36.56 79.72 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.587 179.333 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.471 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 38.7 m170 -66.38 -48.53 69.84 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.632 0.729 . . . . 0.0 109.871 176.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.539 HG21 ' HE2' ' A' ' 45' ' ' LYS . 70.9 mt -58.86 -35.79 58.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 114.619 -1.173 . . . . 0.0 110.91 -178.445 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.522 ' HG3' ' O ' ' A' ' 75' ' ' GLU . 43.6 mt-10 -55.16 -41.04 71.33 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.551 0.215 . . . . 0.0 111.018 177.646 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 31.0 t-105 -68.24 -50.33 54.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.995 0.426 . . . . 0.0 110.544 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -63.79 -34.73 78.56 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.203 -179.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -72.4 -36.02 68.55 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.653 179.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.81 -29.86 68.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.718 178.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.182 175.385 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.178 0 N-CA-C 112.751 0.649 . . . . 0.0 112.751 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.04 -36.22 83.29 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 112.454 0.539 . . . . 0.0 112.454 -171.543 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -58.87 -49.79 76.43 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.893 0.377 . . . . 0.0 110.411 175.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.545 ' O ' HG23 ' A' ' 97' ' ' VAL . 81.2 t80 -62.24 -45.33 93.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.381 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.51 ' HB2' ' HB1' ' A' ' 25' ' ' ALA . . . -57.32 -43.0 82.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.212 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 42.8 m -59.7 -41.81 91.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.964 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 9.6 mp -72.32 -32.35 66.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.939 179.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 93' ' ' PHE . 96.4 t -62.41 -40.77 89.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.704 0.287 . . . . 0.0 110.233 175.353 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.455 ' HG3' ' O ' ' A' ' 94' ' ' ALA . 26.4 mt-30 -57.72 -35.32 70.5 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.829 0.347 . . . . 0.0 110.42 176.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 32.6 mm-40 -66.59 -40.04 88.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.09 177.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.471 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 4.9 t-160 -59.32 -41.03 88.14 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 177.579 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.536 HD21 ' HB3' ' A' ' 18' ' ' LEU . 3.6 mm? -59.29 -47.7 84.38 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.573 177.217 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 17.0 mm-40 -68.13 -37.92 81.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.351 0.596 . . . . 0.0 110.744 179.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -64.78 -49.31 71.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.054 -0.975 . . . . 0.0 112.287 -173.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.462 ' O ' HG23 ' A' ' 108' ' ' VAL . 17.0 mm-40 -62.71 -23.03 66.94 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -174.15 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.472 ' O ' ' HG2' ' A' ' 109' ' ' GLU . 77.0 mt-30 -60.71 -33.13 72.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.87 0.367 . . . . 0.0 110.328 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 10.2 mtp180 -64.25 -34.02 77.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.113 177.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.516 ' CE1' ' HB3' ' A' ' 73' ' ' ASP . 64.5 m170 -74.55 -40.77 61.48 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.963 -177.56 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 104' ' ' GLU . 3.7 t -65.61 -36.14 76.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.255 178.488 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.472 ' HG2' ' O ' ' A' ' 105' ' ' GLN . 62.2 mm-40 -58.71 -37.65 76.58 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.897 177.452 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.443 ' HG2' HD11 ' A' ' 70' ' ' ILE . 15.7 tp10 -61.49 -39.59 91.5 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.718 0.294 . . . . 0.0 110.264 177.626 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.477 HG22 ' HG3' ' A' ' 112' ' ' GLU . 54.0 mt -66.52 -77.54 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.269 -0.423 . . . . 0.0 109.959 177.286 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.477 ' HG3' HG22 ' A' ' 111' ' ' ILE . 41.2 mt-10 . . . . . 0 N--CA 1.448 -0.575 0 CA-C-O 121.619 0.723 . . . . 0.0 110.199 178.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 42.8 tp . . . . . 0 N--CA 1.445 -0.697 0 CA-C-O 120.861 0.362 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 42.4 mt -59.7 -28.16 67.07 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -178.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -57.09 -33.37 67.22 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.478 -176.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.95 -47.17 87.65 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 120.745 0.307 . . . . 0.0 110.959 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.426 ' O ' HG13 ' A' ' 15' ' ' ILE . 6.2 mm-40 -63.04 -42.66 99.8 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.333 177.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 -62.54 -40.3 96.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.179 -178.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -65.67 -44.03 87.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.454 178.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.529 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -58.5 -46.28 93.36 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.771 -0.728 . . . . 0.0 111.712 176.64 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.542 ' HA ' HD12 ' A' ' 18' ' ' LEU . 80.5 mt -61.75 -39.43 83.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.564 0.221 . . . . 0.0 111.121 178.22 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -58.16 -47.01 84.69 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-O 120.988 0.423 . . . . 0.0 110.691 179.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.402 HD13 ' HB3' ' A' ' 39' ' ' GLU . 65.0 mt -65.56 -38.18 81.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.831 179.251 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.645 ' HB3' HD21 ' A' ' 101' ' ' LEU . 96.6 mt -58.27 -37.09 74.28 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.1 177.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.455 ' HG3' ' O ' ' A' ' 15' ' ' ILE . 65.2 mttm -57.55 -45.19 85.41 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.882 0.373 . . . . 0.0 110.832 178.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -67.54 -34.88 77.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.814 -177.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.771 HG21 HD11 ' A' ' 40' ' ' ILE . 86.4 t -63.34 -41.34 92.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.892 179.567 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 92.4 mt -58.61 -35.74 72.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.763 178.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -69.96 -47.92 60.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.407 179.016 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.425 ' HE2' ' HA ' ' A' ' 24' ' ' LYS . 0.2 OUTLIER -68.5 -26.64 65.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.267 -177.28 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.91 -46.29 88.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.014 178.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -71.79 -34.08 69.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.567 178.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -60.06 -36.46 77.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.442 173.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 81.59 44.97 7.56 Favored Glycine 0 N--CA 1.448 -0.536 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.671 176.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -116.35 111.72 20.48 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.103 -0.332 . . . . 0.0 110.103 178.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -69.81 -28.99 66.17 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.206 -176.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -70.0 -47.93 60.19 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.749 -177.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -64.19 -42.23 96.75 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 175.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 41.5 mt -58.44 -44.28 89.12 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.101 177.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.9 -43.54 92.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.672 0.272 . . . . 0.0 111.023 179.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.417 ' O ' ' HG2' ' A' ' 39' ' ' GLU . 6.0 ttp180 -64.34 -46.96 81.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.131 0.491 . . . . 0.0 110.29 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.412 ' O ' HG13 ' A' ' 40' ' ' ILE . 89.5 mt -65.2 -34.61 78.77 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.278 178.219 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.43 ' O ' HG23 ' A' ' 41' ' ' VAL . 67.0 t30 -61.06 -41.52 96.77 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.273 0.558 . . . . 0.0 109.629 176.116 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -59.24 -41.1 87.92 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.048 175.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.417 ' HG2' ' O ' ' A' ' 35' ' ' ARG . 13.9 mm-40 -63.87 -39.54 94.45 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.73 177.667 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.771 HD11 HG21 ' A' ' 21' ' ' VAL . 79.8 mt -62.77 -49.69 82.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.702 178.525 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 37' ' ' ASN . 85.2 t -56.87 -50.27 75.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.076 -177.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -63.15 -36.48 83.76 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 120.637 0.256 . . . . 0.0 111.093 -178.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.04 -47.42 71.43 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.814 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.499 ' O ' HG23 ' A' ' 48' ' ' VAL . 7.1 mm-40 -61.49 -45.36 94.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.327 177.416 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -59.5 -39.79 84.94 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 120.736 0.303 . . . . 0.0 111.135 178.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.45 -44.85 95.4 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 179.125 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.448 ' O ' ' HD2' ' A' ' 51' ' ' TYR . . . -64.78 -46.45 89.65 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.154 176.398 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 44' ' ' GLU . 76.6 t -53.91 -40.82 46.39 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.086 0 C-N-CA 122.378 0.271 . . . . 0.0 110.964 178.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -55.68 -49.91 71.67 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.898 178.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.7 t -69.72 -46.27 75.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.939 -178.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.455 ' HB3' ' HG ' ' A' ' 71' ' ' LEU . 38.1 m-85 -59.17 -46.33 88.68 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.109 179.197 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.58 ' HA ' HD11 ' A' ' 71' ' ' LEU . 39.9 ttmt -60.93 -43.3 98.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.962 0.41 . . . . 0.0 110.992 -178.624 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -67.52 -38.39 84.18 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.386 -178.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.76 -35.26 70.04 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.572 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.9 -47.6 82.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.004 0.431 . . . . 0.0 111.938 -177.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -86.84 17.68 3.91 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.989 -177.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.7 ttmm -143.95 13.73 1.68 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.181 -178.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.55 162.79 26.84 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.974 -172.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -70.5 -77.23 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.423 179.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -104.92 153.8 39.12 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.972 -175.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo -57.65 -28.21 80.58 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 123.255 2.636 . . . . 0.0 113.009 -179.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -61.45 -39.04 89.39 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.156 0.503 . . . . 0.0 110.613 178.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -67.36 -42.5 83.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.183 178.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.469 ' HD2' ' HB2' ' A' ' 68' ' ' ASP . 2.8 tmm_? -66.18 -37.07 84.72 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.021 -179.044 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -56.71 -46.15 81.44 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-O 120.966 0.412 . . . . 0.0 110.568 176.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.2 t -65.76 -49.77 75.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.214 179.107 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.416 HG23 ' HD1' ' A' ' 51' ' ' TYR . 78.3 mt -60.84 -45.99 97.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.351 -179.254 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.469 ' HB2' ' HD2' ' A' ' 64' ' ' ARG . 19.4 t70 -63.31 -47.49 82.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.918 -175.341 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.431 ' O ' ' HB2' ' A' ' 73' ' ' ASP . 23.9 pttm -70.34 -32.6 70.38 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.297 -0.561 . . . . 0.0 110.707 -177.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.5 ' O ' ' HG2' ' A' ' 74' ' ' GLU . 28.9 mt -70.62 -39.78 76.34 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.352 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 173.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.58 HD11 ' HA ' ' A' ' 52' ' ' LYS . 6.9 mt -56.77 -49.68 74.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.711 173.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -63.13 -35.57 80.73 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.316 -0.857 . . . . 0.0 109.503 177.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.532 ' O ' ' HB3' ' A' ' 76' ' ' LYS . 0.4 OUTLIER -69.79 -43.77 71.44 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.32 -179.388 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.5 ' HG2' ' O ' ' A' ' 70' ' ' ILE . 66.0 mm-40 -63.63 -41.58 98.25 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 121.079 -0.248 . . . . 0.0 110.466 -178.53 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -63.62 -34.57 78.12 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.457 0.646 . . . . 0.0 109.744 174.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.532 ' HB3' ' O ' ' A' ' 73' ' ' ASP . 34.8 ttmt -63.95 -40.3 96.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.118 -0.946 . . . . 0.0 110.175 175.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.527 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 29.9 m170 -64.87 -48.5 74.02 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 121.355 0.598 . . . . 0.0 109.809 178.204 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.408 HG13 ' O ' ' A' ' 74' ' ' GLU . 89.4 mt -60.53 -39.24 80.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 CA-C-N 115.021 -0.991 . . . . 0.0 110.926 -178.51 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -56.56 -33.5 66.2 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 120.796 0.331 . . . . 0.0 110.582 178.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 18.1 t-105 -71.13 -57.99 3.98 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.73 175.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -57.47 -32.43 66.95 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.229 0.538 . . . . 0.0 111.371 -178.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 53.6 tttt -65.39 -47.99 74.43 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.055 176.298 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.29 -33.35 69.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.95 0.405 . . . . 0.0 111.496 -178.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.517 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.464 -179.064 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.225 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -68.83 -48.31 63.86 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.894 0.378 . . . . 0.0 111.408 -173.058 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -68.99 -35.7 77.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.05 0.453 . . . . 0.0 110.262 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.526 ' O ' HG23 ' A' ' 97' ' ' VAL . 39.5 t80 -63.04 -48.63 77.9 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.313 174.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.538 ' O ' ' HG3' ' A' ' 98' ' ' GLN . . . -59.29 -39.36 82.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.171 179.361 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 30.4 m -57.21 -44.24 83.53 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.419 178.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 8.6 mp -72.72 -33.01 66.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.374 178.159 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 93' ' ' PHE . 84.9 t -62.78 -37.77 79.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.865 0.364 . . . . 0.0 110.247 175.248 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.538 ' HG3' ' O ' ' A' ' 94' ' ' ALA . 95.5 mt-30 -59.89 -33.21 71.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.565 177.081 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -64.03 -36.27 83.43 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.401 175.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.527 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 7.0 t-160 -64.34 -40.99 96.97 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 176.643 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.645 HD21 ' HB3' ' A' ' 18' ' ' LEU . 3.9 mm? -60.07 -48.56 81.22 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.915 176.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.423 ' HG2' ' O ' ' A' ' 98' ' ' GLN . 16.8 mm-40 -64.41 -35.89 82.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.218 0.532 . . . . 0.0 110.285 179.635 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -67.93 -49.74 60.07 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.879 -177.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -64.55 -20.73 66.41 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.707 0.289 . . . . 0.0 110.586 -177.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.545 ' HG3' ' O ' ' A' ' 101' ' ' LEU . 78.3 mt-30 -63.07 -46.93 85.13 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.498 175.479 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 21.1 ttt180 -65.42 -32.73 74.51 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.843 0.354 . . . . 0.0 110.249 177.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.449 ' O ' HG12 ' A' ' 111' ' ' ILE . 15.2 m170 -58.22 -44.07 88.02 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 177.383 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 59.4 t -69.28 -43.72 81.05 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.321 175.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.52 ' HG3' ' O ' ' A' ' 105' ' ' GLN . 48.4 mt-10 -57.8 -38.82 76.2 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -177.125 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -70.05 -27.51 64.71 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 122.199 -0.313 . . . . 0.0 111.517 179.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.449 HG12 ' O ' ' A' ' 107' ' ' HIS . 31.6 mm -83.87 -73.83 0.3 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 CA-C-O 120.719 0.295 . . . . 0.0 111.525 179.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 . . . . . 0 C--O 1.234 0.265 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -173.764 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 95.3 mt . . . . . 0 CA--C 1.527 0.076 0 CA-C-O 120.87 0.367 . . . . 0.0 110.36 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 87.2 mt -59.92 -28.64 67.77 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.449 178.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 43.5 tttp -56.44 -34.89 67.26 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.388 -174.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.24 -47.06 68.8 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.104 -179.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -68.32 -40.07 81.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.159 0.504 . . . . 0.0 109.903 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -63.82 -39.37 94.08 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.058 178.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -63.99 -41.13 97.6 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.482 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.518 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -58.83 -46.46 93.5 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.898 177.145 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.402 ' HA ' HD12 ' A' ' 18' ' ' LEU . 64.6 mt -63.34 -39.56 85.73 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 CA-C-O 120.94 0.4 . . . . 0.0 110.594 178.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.0 tmtm? -56.42 -46.04 80.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.646 177.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.525 HD13 ' HB3' ' A' ' 39' ' ' GLU . 75.1 mt -65.99 -40.79 88.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.65 178.351 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.536 ' HB3' HD21 ' A' ' 101' ' ' LEU . 95.7 mt -57.81 -36.9 72.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.083 178.643 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 30.3 mmtp -60.56 -44.32 96.29 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 120.772 0.32 . . . . 0.0 110.897 177.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -62.76 -33.45 75.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.042 -179.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.575 ' HA ' HD13 ' A' ' 36' ' ' LEU . 60.5 t -59.08 -42.01 85.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.802 -179.407 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 87.3 mt -58.46 -41.1 84.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.698 179.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.2 mmmt -73.1 -46.98 48.24 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.586 178.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.726 ' HD3' ' HB3' ' A' ' 32' ' ' GLU . 68.8 mttm -69.7 -26.82 64.54 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.901 -173.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.94 -34.42 78.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.1 0.476 . . . . 0.0 110.105 174.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -72.36 -32.81 66.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.812 178.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -64.89 -28.48 69.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.2 177.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 77.18 17.35 79.65 Favored Glycine 0 N--CA 1.45 -0.372 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.86 175.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -95.38 114.58 26.37 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.882 0.372 . . . . 0.0 110.184 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -72.56 -21.52 61.14 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.02 -0.537 . . . . 0.0 112.251 -176.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -68.16 -43.23 78.69 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 177.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.726 ' HB3' ' HD3' ' A' ' 24' ' ' LYS . 63.2 mm-40 -60.95 -43.09 99.18 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.048 174.386 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.411 ' HA ' HD12 ' A' ' 36' ' ' LEU . 84.8 mt -61.06 -45.39 94.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.305 179.516 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.86 -42.5 99.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.08 0.467 . . . . 0.0 110.331 177.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 34.8 ttt180 -59.0 -46.82 87.21 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.678 176.3 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.6 HD21 ' HD2' ' A' ' 24' ' ' LYS . 80.3 mt -58.95 -46.31 88.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.346 -178.465 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.456 ' O ' HG23 ' A' ' 41' ' ' VAL . 5.9 t30 -62.23 -41.24 98.22 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 -177.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.51 -47.81 82.32 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.395 175.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.525 ' HB3' HD13 ' A' ' 17' ' ' ILE . 5.8 mm-40 -59.81 -41.81 92.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.134 179.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.471 HG13 ' O ' ' A' ' 36' ' ' LEU . 94.5 mt -60.15 -49.8 82.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.608 178.158 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 37' ' ' ASN . 89.2 t -56.27 -46.1 81.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.01 0.433 . . . . 0.0 110.614 178.24 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 52.3 mtpt -61.69 -42.91 99.57 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.467 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.55 -47.13 61.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.552 -0.294 . . . . 0.0 111.494 -179.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.471 ' O ' HG23 ' A' ' 48' ' ' VAL . 6.0 mm-40 -58.84 -46.28 88.06 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.479 -179.542 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.406 ' CG ' HD13 ' A' ' 78' ' ' ILE . 27.0 mtpp -69.4 -30.95 69.02 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 116.712 -0.222 . . . . 0.0 111.39 -179.62 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -60.29 -40.95 92.29 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 175.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -68.16 -45.87 68.62 Favored Glycine 0 N--CA 1.446 -0.638 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.744 174.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 44' ' ' GLU . 63.4 t -53.83 -40.93 46.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.77 0.319 . . . . 0.0 111.196 178.453 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.406 ' HB2' ' HE3' ' A' ' 49' ' ' LYS . 37.5 ttmt -58.23 -51.52 69.41 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.206 -177.119 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.8 m -73.3 -41.15 57.7 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.235 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 178.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.526 ' HB2' HD23 ' A' ' 71' ' ' LEU . 10.8 m-85 -66.48 -37.96 86.25 Favored 'General case' 0 C--O 1.226 -0.166 0 N-CA-C 111.556 0.206 . . . . 0.0 111.556 -176.224 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.551 ' HA ' ' HG ' ' A' ' 71' ' ' LEU . 55.1 tttp -63.08 -37.41 87.09 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.0 0.428 . . . . 0.0 110.141 -179.125 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -67.24 -43.02 83.01 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.219 176.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.71 -32.99 71.87 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.487 -178.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.15 -42.1 94.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.854 0.359 . . . . 0.0 111.277 -179.052 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -81.16 -12.92 59.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.053 -178.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.5 ttpt -125.22 28.65 6.29 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.423 0.63 . . . . 0.0 110.197 -174.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.64 ' HB3' ' HG3' ' A' ' 64' ' ' ARG . . . -78.37 157.88 28.94 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.348 179.157 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 52.0 mtt180 -101.79 -59.16 1.75 Allowed 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.872 -174.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -83.65 128.02 65.44 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.001 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -59.9 -38.5 78.79 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 123.066 2.511 . . . . 0.0 113.231 -174.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -63.56 -45.27 91.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.961 0.41 . . . . 0.0 110.515 -177.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 32.8 mmtm -75.8 -28.01 58.17 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.305 176.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.64 ' HG3' ' HB3' ' A' ' 58' ' ' ALA . 29.8 ttt180 -57.73 -46.21 84.75 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 175.531 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.11 -43.17 95.8 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.858 177.095 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 77.8 t -58.74 -53.66 44.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.313 178.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 70.3 mt -62.27 -42.47 95.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.712 -178.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -60.08 -47.07 87.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.771 179.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.56 ' HE3' ' HA ' ' A' ' 69' ' ' LYS . 0.1 OUTLIER -64.12 -45.27 89.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.847 -177.142 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.537 HG23 ' ND1' ' A' ' 107' ' ' HIS . 50.8 mt -66.94 -38.23 80.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.951 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.551 ' HG ' ' HA ' ' A' ' 52' ' ' LYS . 2.8 tm? -58.68 -50.05 75.32 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.44 177.227 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -68.69 -35.8 77.66 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.073 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.48 ' HB3' ' CE1' ' A' ' 107' ' ' HIS . 0.5 OUTLIER -62.06 -42.65 99.41 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 121.221 0.534 . . . . 0.0 110.299 178.391 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -60.51 -39.11 86.59 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.098 -0.956 . . . . 0.0 110.482 -176.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.444 ' HA ' HD12 ' A' ' 78' ' ' ILE . 19.7 mm-40 -67.68 -35.84 79.58 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 120.729 0.299 . . . . 0.0 110.998 174.655 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -64.57 -34.03 77.29 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.614 0.245 . . . . 0.0 110.86 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.412 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 45.2 m170 -61.67 -47.24 86.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.69 0.757 . . . . 0.0 109.467 175.553 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.576 HG22 ' HE3' ' A' ' 82' ' ' LYS . 48.6 mt -61.39 -38.41 79.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 114.778 -1.101 . . . . 0.0 110.421 178.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.478 ' HA ' ' OE1' ' A' ' 79' ' ' GLU . 9.3 mm-40 -56.74 -43.28 80.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.464 175.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.485 ' CZ2' HD13 ' A' ' 96' ' ' LEU . 21.5 t-105 -65.06 -53.88 38.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.733 176.383 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 53.7 m-70 -59.27 -36.67 75.93 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -177.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.576 ' HE3' HG22 ' A' ' 78' ' ' ILE . 10.6 mtmp? -68.78 -36.24 78.05 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.689 177.663 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.83 -35.23 72.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.039 0.447 . . . . 0.0 110.716 176.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.515 179.079 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.138 0 N-CA-C 111.566 0.21 . . . . 0.0 111.566 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -63.44 -47.52 81.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.876 0.37 . . . . 0.0 111.702 -174.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -68.16 -39.02 82.69 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.512 0.672 . . . . 0.0 109.905 177.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.552 ' O ' HG13 ' A' ' 97' ' ' VAL . 70.8 t80 -61.52 -49.82 75.17 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.803 -1.089 . . . . 0.0 111.006 -177.204 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.578 ' HA ' HG22 ' A' ' 97' ' ' VAL . . . -66.12 -24.84 66.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.749 0.309 . . . . 0.0 111.646 -177.238 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.462 ' HA ' HE21 ' A' ' 98' ' ' GLN . 52.5 m -72.41 -42.05 65.58 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.137 0.494 . . . . 0.0 109.966 173.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.485 HD13 ' CZ2' ' A' ' 80' ' ' TRP . 94.3 mt -72.87 -33.74 66.28 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.704 -178.061 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.578 HG22 ' HA ' ' A' ' 94' ' ' ALA . 32.6 m -63.54 -35.21 71.74 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 CA-C-O 120.732 0.301 . . . . 0.0 110.83 178.527 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.462 HE21 ' HA ' ' A' ' 95' ' ' SER . 43.3 mt-30 -57.64 -32.19 67.01 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.289 177.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.67 -42.75 99.79 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 177.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.412 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 5.6 t-160 -66.9 -41.67 86.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.716 178.421 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.536 HD21 ' HB3' ' A' ' 18' ' ' LEU . 3.8 mm? -59.21 -48.37 81.88 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.52 178.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -67.39 -36.04 80.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.071 0.462 . . . . 0.0 110.653 179.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -62.88 -48.99 76.61 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.547 -178.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.446 ' O ' HG23 ' A' ' 108' ' ' VAL . 20.5 mm-40 -66.82 -27.61 67.7 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 121.008 -0.277 . . . . 0.0 110.59 -178.217 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.577 ' O ' ' HG3' ' A' ' 109' ' ' GLU . 77.4 mt-30 -66.89 -39.08 87.37 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 173.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.96 -38.72 89.56 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.142 172.424 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.606 ' O ' HG13 ' A' ' 111' ' ' ILE . 17.2 m170 -59.88 -49.81 76.24 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.071 175.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 104' ' ' GLU . 94.1 t -61.67 -40.99 88.66 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.367 -179.557 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.577 ' HG3' ' O ' ' A' ' 105' ' ' GLN . 50.8 mt-10 -56.99 -45.29 83.1 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-O 121.19 0.519 . . . . 0.0 110.335 177.2 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -70.04 -29.26 66.24 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.327 -0.852 . . . . 0.0 110.71 -176.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.606 HG13 ' O ' ' A' ' 107' ' ' HIS . 57.7 mt -81.55 -67.16 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.971 0.415 . . . . 0.0 111.265 178.472 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.582 -172.905 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.578 ' HB3' ' HE1' ' A' ' 51' ' ' TYR . 53.5 mt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.735 0.302 . . . . 0.0 110.74 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -70.7 -38.17 73.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.013 178.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -59.33 -31.47 69.2 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.312 178.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.88 -44.69 86.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.686 0.279 . . . . 0.0 111.098 177.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -66.21 -40.87 90.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.832 0.349 . . . . 0.0 110.524 176.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -62.61 -33.88 75.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.548 177.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.438 ' O ' HG13 ' A' ' 17' ' ' ILE . 25.3 tp60 -62.12 -45.26 94.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.169 177.201 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.635 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -62.02 -46.59 93.75 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.806 -0.712 . . . . 0.0 111.647 177.604 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 82.6 mt -60.16 -43.05 92.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.743 0.306 . . . . 0.0 110.732 178.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.3 tmtm? -56.54 -44.49 80.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.514 177.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.548 ' O ' HG23 ' A' ' 21' ' ' VAL . 69.9 mt -68.66 -42.91 83.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.877 178.269 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.635 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 93.4 mt -57.26 -37.43 72.33 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.959 -179.648 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.598 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 98.9 mttt -57.73 -42.22 83.4 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 121.08 0.467 . . . . 0.0 111.055 176.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -75.22 -32.7 61.22 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.981 -179.209 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.58 HG21 HD11 ' A' ' 40' ' ' ILE . 87.9 t -59.67 -44.98 94.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.992 178.67 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.598 ' HG ' ' O ' ' A' ' 19' ' ' LYS . 4.4 pp -64.45 -34.74 78.9 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.59 179.442 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -63.69 -47.71 80.06 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 121.282 0.563 . . . . 0.0 109.943 175.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.46 ' HD3' ' HA ' ' A' ' 24' ' ' LYS . 69.7 mmtt -72.27 -21.16 61.41 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.605 -176.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.84 -33.37 70.59 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.949 0.404 . . . . 0.0 110.513 175.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -72.76 -30.83 64.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.255 0.55 . . . . 0.0 110.439 176.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -78.08 -33.56 50.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.794 178.164 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.63 39.91 47.81 Favored Glycine 0 N--CA 1.448 -0.521 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 -175.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -94.53 100.51 12.47 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 -176.279 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -60.42 -41.47 94.02 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.61 -176.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -60.99 -50.67 72.45 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 -176.193 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.408 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 18.2 mm-40 -71.47 -38.56 71.24 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.258 -179.322 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.463 HD22 ' CE2' ' A' ' 93' ' ' PHE . 31.1 mt -59.52 -45.7 91.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.559 0.218 . . . . 0.0 110.863 177.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.63 -44.46 90.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.872 0.368 . . . . 0.0 110.562 178.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.453 HH11 ' HD3' ' A' ' 35' ' ' ARG . 24.5 ttm-85 -59.68 -49.09 79.11 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.125 178.067 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.558 ' O ' HG13 ' A' ' 40' ' ' ILE . 90.7 mt -63.67 -45.08 91.73 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.754 -179.202 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.428 ' O ' HG23 ' A' ' 41' ' ' VAL . 7.6 t30 -59.86 -40.28 88.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.168 0.509 . . . . 0.0 110.199 179.204 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -66.76 -42.73 85.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.571 177.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.503 ' HA ' ' HG2' ' A' ' 42' ' ' LYS . 0.3 OUTLIER -70.57 -30.72 67.5 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.46 -179.579 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.58 HD11 HG21 ' A' ' 21' ' ' VAL . 83.2 mt -56.97 -49.56 78.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 172.378 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 37' ' ' ASN . 61.9 t -54.8 -40.17 51.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.928 177.803 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.503 ' HG2' ' HA ' ' A' ' 39' ' ' GLU . 37.5 mmtm -58.09 -48.02 81.45 Favored 'General case' 0 CA--C 1.528 0.106 0 CA-C-O 120.907 0.384 . . . . 0.0 110.428 179.134 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.3 -46.45 64.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.413 -176.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.503 ' O ' HG23 ' A' ' 48' ' ' VAL . 7.7 mm-40 -58.84 -46.38 87.85 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.594 -179.32 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.574 ' HE2' HG21 ' A' ' 78' ' ' ILE . 62.3 mmtt -65.51 -37.48 86.89 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.221 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.405 ' O ' HG22 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -60.44 -45.35 93.98 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 177.886 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -66.27 -47.16 73.74 Favored Glycine 0 N--CA 1.448 -0.545 0 CA-C-N 115.547 -0.751 . . . . 0.0 112.559 178.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.542 HG22 ' HB3' ' A' ' 74' ' ' GLU . 81.0 t -58.14 -41.96 82.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.934 0.367 . . . . 0.0 111.211 -179.643 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -63.66 -50.17 70.31 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.017 -176.16 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.405 HG22 ' O ' ' A' ' 46' ' ' GLN . 25.4 m -70.87 -34.44 55.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 111.666 0.247 . . . . 0.0 111.666 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.578 ' HE1' ' HB3' ' A' ' 7' ' ' LEU . 11.4 m-30 -65.51 -37.23 86.16 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.461 0.172 . . . . 0.0 110.923 179.602 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 48.7 tttm -57.51 -44.5 85.09 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.704 0.287 . . . . 0.0 110.703 178.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -69.48 -42.17 75.18 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.999 0.428 . . . . 0.0 110.238 177.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.92 -32.5 72.91 Favored 'General case' 0 C--O 1.225 -0.194 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.439 -179.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.04 -32.87 72.47 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.424 178.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -90.92 -11.9 37.69 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.993 0.425 . . . . 0.0 110.654 -179.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 54.0 mttp -109.76 21.18 17.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.358 176.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.91 -29.27 69.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.767 -174.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.545 ' HD3' ' O ' ' A' ' 59' ' ' ARG . 3.9 tmt_? 78.21 -23.78 0.24 Allowed 'General case' 0 N--CA 1.468 0.439 0 O-C-N 123.699 0.624 . . . . 0.0 111.351 172.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.467 ' HB3' ' HD3' ' A' ' 63' ' ' LYS . 21.4 t-20 -144.44 135.35 12.34 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 122.314 -0.241 . . . . 0.0 110.703 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -56.42 -38.36 95.41 Favored 'Trans proline' 0 CA--C 1.533 0.442 0 C-N-CA 123.633 2.889 . . . . 0.0 114.318 -176.216 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -69.49 -44.37 71.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.807 0.336 . . . . 0.0 110.876 -175.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.467 ' HD3' ' HB3' ' A' ' 60' ' ' ASN . 7.3 ptmm? -75.87 -26.44 57.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.925 0.393 . . . . 0.0 110.35 177.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -58.55 -44.13 89.56 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 174.204 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 24.9 tm0? -56.99 -42.32 80.05 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.896 179.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.568 HG13 ' HG3' ' A' ' 110' ' ' GLU . 87.2 t -59.02 -49.98 81.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.01 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 49.2 mm -65.44 -45.75 92.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.794 -179.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -63.24 -37.92 89.14 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.408 -178.327 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -60.73 -46.28 91.02 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.102 0.477 . . . . 0.0 111.135 178.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 16.1 mt -72.19 -37.15 58.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.109 178.538 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -54.76 -41.81 70.92 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 175.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -64.69 -47.37 78.62 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.944 175.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.553 ' HB3' ' CE1' ' A' ' 107' ' ' HIS . 0.4 OUTLIER -71.24 -39.05 71.9 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.914 -173.357 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.542 ' HB3' HG22 ' A' ' 48' ' ' VAL . 3.2 tp10 -66.81 -34.4 77.72 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.607 -173.435 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.507 ' HA ' ' OE1' ' A' ' 75' ' ' GLU . 1.3 mm-40 -67.87 -34.64 77.06 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 121.376 0.607 . . . . 0.0 110.222 172.345 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.531 ' HB3' ' O ' ' A' ' 73' ' ' ASP . 87.7 tttt -61.29 -33.89 74.3 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.686 178.429 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 51.8 m170 -68.99 -48.11 63.9 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.262 0.553 . . . . 0.0 110.712 179.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.574 HG21 ' HE2' ' A' ' 45' ' ' LYS . 57.9 mt -59.57 -48.89 85.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.053 -174.782 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.473 ' HA ' ' HD3' ' A' ' 82' ' ' LYS . 73.4 mm-40 -58.47 -32.7 69.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.982 178.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 10.0 t-105 -68.67 -49.6 57.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.675 -0.239 . . . . 0.0 110.485 179.116 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 44.1 m-70 -61.9 -32.36 72.73 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-O 120.703 0.287 . . . . 0.0 111.772 176.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.473 ' HD3' ' HA ' ' A' ' 79' ' ' GLU . 52.3 mtpt -62.04 -47.34 85.18 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.848 0.356 . . . . 0.0 110.687 175.434 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.11 -30.44 68.72 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.324 -179.148 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.423 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -174.617 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.792 0.33 . . . . 0.0 110.344 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -58.75 -39.32 80.58 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.347 0.594 . . . . 0.0 110.356 176.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.518 ' O ' ' HG ' ' A' ' 96' ' ' LEU . 2.2 mp0 -68.04 -38.22 82.24 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.549 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.463 ' CE2' HD22 ' A' ' 33' ' ' LEU . 0.9 OUTLIER -62.97 -37.63 87.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.206 -177.682 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.414 ' O ' ' HG3' ' A' ' 98' ' ' GLN . . . -60.73 -30.46 69.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.991 176.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 22.4 t -84.67 -36.48 21.89 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.906 0.384 . . . . 0.0 110.6 177.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 92' ' ' GLN . 89.5 mt -65.69 -38.41 89.15 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.282 -177.695 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 14.7 p -62.48 -34.76 66.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.4 178.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.414 ' HG3' ' O ' ' A' ' 94' ' ' ALA . 90.5 mt-30 -57.46 -44.05 84.51 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.362 178.227 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -65.52 -42.97 91.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.844 -175.009 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -68.58 -42.33 78.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.841 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.409 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 55.3 tp -61.16 -48.37 81.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.754 -179.027 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -66.81 -34.77 78.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.567 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -65.01 -49.92 68.31 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.641 -179.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -66.32 -22.34 66.28 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 120.508 0.194 . . . . 0.0 110.509 -177.278 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.409 ' HG3' ' O ' ' A' ' 101' ' ' LEU . 78.1 mt-30 -61.61 -46.36 90.15 Favored 'General case' 0 C--N 1.333 -0.136 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 172.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.5 -33.77 76.31 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.341 175.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.553 ' CE1' ' HB3' ' A' ' 73' ' ' ASP . 12.3 m170 -60.6 -49.79 76.13 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.17 0.509 . . . . 0.0 110.286 177.258 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 85.8 t -67.69 -37.97 79.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.719 179.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.406 ' HG3' ' O ' ' A' ' 105' ' ' GLN . 47.9 mt-10 -57.39 -34.06 68.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.977 174.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.568 ' HG3' HG13 ' A' ' 66' ' ' VAL . 5.9 tp10 -69.75 -45.13 68.79 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.042 -178.723 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.492 HG13 ' O ' ' A' ' 107' ' ' HIS . 0.9 OUTLIER -93.38 -65.62 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.291 0.567 . . . . 0.0 112.247 -174.291 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 . . . . . 0 C--N 1.326 -0.455 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.715 -166.998 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.662 ' HG ' HG23 ' A' ' 50' ' ' VAL . 6.8 mp . . . . . 0 C--O 1.233 0.194 0 CA-C-O 121.129 0.49 . . . . 0.0 110.067 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -65.88 -39.97 91.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.498 -0.773 . . . . 0.0 110.018 179.542 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -61.72 -41.84 98.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.558 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.94 -41.64 91.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.691 0.281 . . . . 0.0 110.846 179.339 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -61.29 -44.29 97.46 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-O 121.197 0.522 . . . . 0.0 109.789 177.016 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 71.5 mm-40 -61.88 -38.9 90.03 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.139 177.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.47 ' O ' HG13 ' A' ' 17' ' ' ILE . 48.9 mt-30 -61.3 -44.76 96.68 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.028 179.428 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.632 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -59.9 -46.5 94.01 Favored Glycine 0 C--N 1.332 0.358 0 C-N-CA 120.673 -0.775 . . . . 0.0 111.82 177.573 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.557 ' HA ' HD12 ' A' ' 18' ' ' LEU . 79.1 mt -58.61 -42.13 84.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.033 0.444 . . . . 0.0 111.121 179.088 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 31.0 ttmt -65.14 -41.35 94.88 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.895 -177.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 13' ' ' GLN . 58.1 mt -69.06 -33.45 58.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.567 178.259 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.632 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 86.9 mt -57.05 -37.56 71.98 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.213 178.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -66.92 -37.34 84.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.909 0.385 . . . . 0.0 110.839 179.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -62.79 -36.9 84.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.018 178.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.483 HG11 HG21 ' A' ' 97' ' ' VAL . 64.9 t -60.47 -41.56 88.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.643 178.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 48.4 mt -62.89 -38.11 89.59 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.589 -179.05 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -71.99 -48.03 47.72 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.172 179.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.44 -26.6 61.9 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.84 -174.736 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.23 -36.29 79.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.976 0.417 . . . . 0.0 110.516 176.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -71.9 -34.5 69.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.491 177.214 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -67.08 -31.53 72.08 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.212 175.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 84.89 35.14 13.37 Favored Glycine 0 N--CA 1.449 -0.447 0 CA-C-N 115.772 -0.649 . . . . 0.0 113.4 172.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -109.9 128.98 55.69 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.863 0.363 . . . . 0.0 110.503 176.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -89.95 -24.0 21.41 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.191 -175.196 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -61.96 -46.79 87.72 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 174.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.461 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 20.2 mm-40 -60.95 -45.57 94.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.743 174.322 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 50.9 mt -58.88 -41.94 88.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.442 -179.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.76 -45.86 87.93 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 120.748 0.309 . . . . 0.0 110.479 178.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 51.7 ttm-85 -60.25 -49.12 78.86 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.047 177.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.506 ' O ' HG13 ' A' ' 40' ' ' ILE . 96.0 mt -62.71 -42.89 99.88 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.712 -178.244 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.453 ' O ' HG23 ' A' ' 41' ' ' VAL . 25.7 t-20 -56.02 -48.71 75.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.139 178.232 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.48 -48.18 80.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.032 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -65.48 -32.42 74.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.682 -0.236 . . . . 0.0 111.382 -176.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.566 ' O ' ' HG2' ' A' ' 44' ' ' GLU . 80.1 mt -62.37 -49.51 83.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 174.243 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 37' ' ' ASN . 83.9 t -57.69 -40.66 76.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.721 179.263 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -59.36 -45.63 90.89 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.075 177.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.78 -47.06 70.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.979 -178.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.566 ' HG2' ' O ' ' A' ' 40' ' ' ILE . 6.3 mm-40 -58.99 -47.24 85.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.646 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.528 ' HG2' HD13 ' A' ' 78' ' ' ILE . 13.6 mmtm -65.69 -37.15 85.66 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.407 -179.344 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 27.6 tp60 -60.82 -41.72 96.3 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 177.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -68.78 -47.42 55.68 Favored Glycine 0 N--CA 1.444 -0.794 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.993 176.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.56 HG12 ' HE2' ' A' ' 52' ' ' LYS . 62.9 t -53.86 -42.4 52.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.767 0.283 . . . . 0.0 111.188 179.762 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -65.93 -46.76 77.06 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 121.085 -0.246 . . . . 0.0 111.309 -178.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.662 HG23 ' HG ' ' A' ' 7' ' ' LEU . 28.8 m -70.46 -32.56 50.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 120.859 -0.336 . . . . 0.0 111.417 -179.327 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.47 ' CD1' HD23 ' A' ' 7' ' ' LEU . 31.3 m-85 -64.93 -42.93 94.25 Favored 'General case' 0 CA--C 1.522 -0.129 0 CA-C-O 120.766 0.317 . . . . 0.0 110.355 174.277 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.56 ' HE2' HG12 ' A' ' 48' ' ' VAL . 43.9 mtmt -59.24 -42.27 90.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.02 177.235 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -59.66 -46.88 87.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.558 179.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.16 -33.09 67.44 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.937 -178.27 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.26 -47.69 84.88 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -175.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -86.33 7.94 23.49 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.872 0.367 . . . . 0.0 111.774 -176.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 39.1 tttm -139.65 23.5 2.47 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.234 0.54 . . . . 0.0 109.736 -179.091 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.24 155.6 40.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.771 -0.65 . . . . 0.0 112.12 -174.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 62.8 mtt180 -93.56 -4.02 51.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.867 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -153.46 116.79 2.73 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.564 -178.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -56.83 -44.26 46.62 Favored 'Trans proline' 0 CA--C 1.531 0.341 0 C-N-CA 123.159 2.573 . . . . 0.0 113.241 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -60.73 -43.37 97.96 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 120.687 0.28 . . . . 0.0 111.356 -179.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.452 ' O ' ' HB ' ' A' ' 66' ' ' VAL . 50.2 tptt -73.45 -28.7 62.1 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.224 179.272 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 64' ' ' ARG . 0.2 OUTLIER -66.08 -37.58 86.15 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.45 176.507 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.544 ' O ' ' HG3' ' A' ' 69' ' ' LYS . 55.6 tt0 -59.92 -31.74 70.12 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 121.01 0.433 . . . . 0.0 110.2 178.405 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.537 ' CG1' ' HB3' ' A' ' 110' ' ' GLU . 83.1 t -59.23 -48.54 86.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.529 170.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 64.3 mt -61.85 -40.8 88.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.99 178.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -55.79 -44.42 77.74 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-O 120.767 0.318 . . . . 0.0 110.942 178.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.544 ' HG3' ' O ' ' A' ' 65' ' ' GLN . 48.1 mttp -64.73 -45.57 85.93 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.909 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.452 ' O ' ' HB2' ' A' ' 74' ' ' GLU . 1.7 mp -66.25 -39.52 84.49 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.381 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.405 179.408 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.425 HD21 ' HG3' ' A' ' 52' ' ' LYS . 2.4 tm? -59.88 -49.5 77.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.357 -179.327 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -66.34 -43.51 85.86 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.213 0.53 . . . . 0.0 110.351 -179.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -62.75 -44.94 94.89 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.634 179.433 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.452 ' HB2' ' O ' ' A' ' 70' ' ' ILE . 4.9 tp10 -66.23 -39.13 89.34 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.344 -176.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.492 ' OE1' ' HA ' ' A' ' 75' ' ' GLU . 0.4 OUTLIER -64.39 -34.68 78.72 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 121.039 0.447 . . . . 0.0 110.39 175.218 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.58 -33.35 75.7 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.927 177.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 64.6 m170 -59.84 -44.65 93.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.257 0.551 . . . . 0.0 109.843 174.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.528 HD13 ' HG2' ' A' ' 45' ' ' LYS . 64.9 mt -66.3 -37.52 79.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.692 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -55.26 -43.1 74.37 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.059 0.457 . . . . 0.0 109.952 174.168 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.682 ' CZ2' HD13 ' A' ' 96' ' ' LEU . 15.6 t-105 -69.57 -58.29 4.13 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.422 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 26.6 m-70 -58.47 -34.19 70.59 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -172.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 25.3 ttpp -72.74 -39.92 66.47 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.994 0.426 . . . . 0.0 110.432 -179.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.69 -30.22 65.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.112 0.482 . . . . 0.0 110.638 176.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 115.443 -0.799 . . . . 0.0 112.159 -178.411 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.148 0 CA-C-O 120.487 0.184 . . . . 0.0 111.333 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -66.74 -50.64 62.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.876 0.37 . . . . 0.0 110.908 -174.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 25.9 mp0 -70.34 -42.83 71.36 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.316 0.579 . . . . 0.0 109.908 176.205 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.52 ' O ' HG23 ' A' ' 97' ' ' VAL . 72.1 t80 -55.05 -53.82 50.96 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.887 -1.051 . . . . 0.0 111.614 -176.707 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.69 -41.31 97.41 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.742 0.306 . . . . 0.0 111.496 -177.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 15.7 m -61.8 -39.69 92.61 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.355 0.598 . . . . 0.0 110.383 -179.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.682 HD13 ' CZ2' ' A' ' 80' ' ' TRP . 6.2 mt -72.78 -32.84 65.89 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.428 178.289 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 93' ' ' PHE . 79.5 t -64.56 -36.59 77.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.903 0.382 . . . . 0.0 110.881 175.688 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -59.02 -36.11 74.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.088 0.47 . . . . 0.0 110.893 177.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.636 HE21 ' HA ' ' A' ' 96' ' ' LEU . 47.9 mt-30 -73.86 -34.22 64.4 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.677 179.226 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 6.9 t-160 -60.89 -41.38 95.91 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 173.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 50.6 tp -58.45 -48.48 80.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.194 179.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -66.77 -35.36 79.91 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 121.051 0.453 . . . . 0.0 110.744 179.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -58.89 -47.9 83.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.216 178.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.441 ' O ' ' HB2' ' A' ' 107' ' ' HIS . 15.5 mm-40 -65.57 -23.75 66.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.253 -176.01 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.494 ' O ' ' HG3' ' A' ' 109' ' ' GLU . 78.2 mt-30 -64.61 -40.46 95.55 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.118 176.393 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.508 ' HA ' ' OE1' ' A' ' 109' ' ' GLU . 53.8 mtt180 -62.34 -35.8 80.23 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.155 0.503 . . . . 0.0 109.997 175.789 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.631 ' O ' HG12 ' A' ' 111' ' ' ILE . 16.1 m170 -60.13 -50.05 75.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.682 177.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 104' ' ' GLU . 59.1 t -58.83 -37.79 68.68 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.58 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.508 ' OE1' ' HA ' ' A' ' 106' ' ' ARG . 45.0 mt-10 -58.11 -48.32 80.54 Favored 'General case' 0 N--CA 1.461 0.118 0 CA-C-O 120.94 0.4 . . . . 0.0 110.58 179.576 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.537 ' HB3' ' CG1' ' A' ' 66' ' ' VAL . 21.5 mm-40 -71.45 -38.1 71.32 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.859 179.68 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.631 HG12 ' O ' ' A' ' 107' ' ' HIS . 46.7 mm -62.42 -65.74 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.965 -179.216 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 . . . . . 0 N--CA 1.447 -0.614 0 CA-C-O 121.188 0.518 . . . . 0.0 111.345 -176.199 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.628 ' HB3' ' HE1' ' A' ' 51' ' ' TYR . 75.7 mt . . . . . 0 N--CA 1.47 0.543 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.457 ' O ' ' HG2' ' A' ' 12' ' ' GLN . 82.9 mt -58.91 -29.12 66.82 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.735 -179.132 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -57.22 -34.59 68.72 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.974 -172.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.34 -48.87 73.9 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.973 -0.291 . . . . 0.0 111.342 -176.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -70.43 -39.58 74.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.618 178.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.457 ' HG2' ' O ' ' A' ' 8' ' ' LEU . 31.8 mm-40 -62.08 -46.03 90.9 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.8 0.334 . . . . 0.0 110.599 179.014 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.433 ' O ' HG13 ' A' ' 17' ' ' ILE . 51.0 tp60 -65.99 -43.56 87.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.547 -178.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.656 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -58.58 -46.96 92.52 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.991 178.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.503 ' HA ' HD12 ' A' ' 18' ' ' LEU . 77.0 mt -64.06 -39.21 84.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.604 0.24 . . . . 0.0 110.668 178.186 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.416 ' HA ' ' CE ' ' A' ' 19' ' ' LYS . 12.2 tmtt? -58.01 -46.91 84.52 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 179.099 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.433 HG13 ' O ' ' A' ' 13' ' ' GLN . 67.9 mt -66.18 -33.58 64.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.763 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.656 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 97.7 mt -57.85 -39.46 77.77 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.078 177.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.471 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -65.7 -38.45 89.28 Favored 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 121.074 -0.25 . . . . 0.0 110.822 176.775 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.404 ' HA ' ' HD2' ' A' ' 23' ' ' LYS . 5.7 mm-40 -62.5 -40.66 97.43 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.313 0.578 . . . . 0.0 110.1 -179.673 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.566 HG21 HD11 ' A' ' 40' ' ' ILE . 96.1 t -61.21 -45.62 98.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.856 178.19 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 97.4 mt -60.33 -38.0 82.39 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.83 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.471 ' HG3' ' O ' ' A' ' 19' ' ' LYS . 95.7 mttt -60.81 -48.65 80.83 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.792 179.078 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.826 ' HA ' ' HE3' ' A' ' 24' ' ' LYS . 1.1 tpmt? -71.69 -35.81 70.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.799 -175.483 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.467 ' HA ' HD11 ' A' ' 33' ' ' LEU . . . -60.7 -42.08 96.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.048 178.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -72.24 -20.29 61.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.392 179.095 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -82.43 -20.23 37.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.092 0.472 . . . . 0.0 110.009 174.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 77.68 25.6 62.47 Favored Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.858 -0.61 . . . . 0.0 112.626 178.054 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.503 ' HB3' ' HE2' ' A' ' 24' ' ' LYS . 18.6 t70 -101.41 125.92 48.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.868 0.365 . . . . 0.0 110.114 179.639 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -95.06 -9.81 32.66 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.359 -173.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -70.16 -51.69 29.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.211 -175.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.523 ' HB2' ' CD ' ' A' ' 24' ' ' LYS . 1.1 mp0 -71.44 -37.24 71.42 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.969 178.261 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.467 HD11 ' HA ' ' A' ' 25' ' ' ALA . 18.8 mt -56.19 -36.93 68.95 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -174.323 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.89 -45.12 83.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.144 0.497 . . . . 0.0 110.503 178.116 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' ' 35' ' ' ARG . 23.5 ttt180 -70.2 -40.05 74.82 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.268 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.467 ' O ' HG13 ' A' ' 40' ' ' ILE . 94.2 mt -63.3 -42.44 99.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.857 0.361 . . . . 0.0 110.425 178.706 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -59.7 -38.95 83.0 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.13 176.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -70.15 -36.96 75.1 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.468 177.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -64.02 -36.21 83.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.044 0.45 . . . . 0.0 110.138 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.566 HD11 HG21 ' A' ' 21' ' ' VAL . 79.1 mt -60.17 -47.3 92.62 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.133 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.71 177.554 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.441 HG13 HG23 ' A' ' 78' ' ' ILE . 57.7 t -54.67 -40.5 51.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.042 -179.287 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -63.18 -44.49 95.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.993 178.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.02 -46.3 68.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.448 -176.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.449 ' O ' HG23 ' A' ' 48' ' ' VAL . 8.0 mm-40 -58.87 -47.33 85.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.771 -179.465 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.498 ' HG3' HD13 ' A' ' 78' ' ' ILE . 62.0 mttm -69.87 -30.84 68.4 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.26 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.401 ' O ' HG23 ' A' ' 50' ' ' VAL . 58.9 tp60 -59.65 -42.89 93.81 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 177.05 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.1 -48.05 61.64 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.574 -0.822 . . . . 0.0 111.881 176.485 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 44' ' ' GLU . 77.6 t -55.24 -48.79 76.08 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 CA-C-O 120.822 0.344 . . . . 0.0 111.585 -179.119 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -57.0 -49.41 75.86 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.38 -177.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 46' ' ' GLN . 28.1 t -70.32 -37.84 72.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.885 0.374 . . . . 0.0 110.95 -179.522 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.628 ' HE1' ' HB3' ' A' ' 7' ' ' LEU . 10.3 m-30 -63.0 -44.27 96.49 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.503 -179.067 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.463 ' HB2' HD11 ' A' ' 71' ' ' LEU . 34.4 ttpt -62.92 -35.7 80.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.751 0.31 . . . . 0.0 110.794 -177.356 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.8 tm-20 -60.41 -48.83 80.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.601 179.196 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.05 -37.92 66.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.782 -0.645 . . . . 0.0 112.167 -179.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.71 -44.73 86.13 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 112.014 0.375 . . . . 0.0 112.014 -175.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -83.24 3.45 31.11 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.969 0.414 . . . . 0.0 110.859 -178.33 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -116.28 -22.23 8.95 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.102 -172.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -75.22 144.23 42.73 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.026 -179.214 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 45.3 mtm-85 -93.34 -1.29 56.11 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.798 -179.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.524 ' HB2' ' HB3' ' A' ' 63' ' ' LYS . 17.2 m120 -101.2 113.99 65.79 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.726 -176.133 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_exo -57.59 -48.39 17.35 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 123.189 2.593 . . . . 0.0 113.142 -177.457 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.444 ' CD ' ' H ' ' A' ' 62' ' ' GLU . 0.5 OUTLIER -70.24 -38.56 75.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.88 0.372 . . . . 0.0 110.616 -176.779 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.524 ' HB3' ' HB2' ' A' ' 60' ' ' ASN . 87.4 tttt -64.42 -36.2 83.38 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.876 177.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 43.2 ttt-85 -67.99 -41.26 82.58 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.478 176.26 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 23.3 tm0? -56.48 -44.05 80.23 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 -179.1 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 88.7 t -58.82 -47.72 88.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.084 0.469 . . . . 0.0 110.317 178.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 68.8 mt -64.48 -46.99 91.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.914 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -59.19 -44.41 92.21 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.624 -178.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -61.02 -45.37 95.09 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.99 -179.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.44 HD13 HD11 ' A' ' 111' ' ' ILE . 83.7 mt -68.84 -41.55 82.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.662 179.727 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.463 HD11 ' HB2' ' A' ' 52' ' ' LYS . 6.5 tt -58.04 -44.51 87.44 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.375 178.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -64.44 -42.24 96.09 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.659 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.466 ' HB3' ' CE1' ' A' ' 107' ' ' HIS . 18.6 t0 -67.89 -41.53 82.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.409 0.623 . . . . 0.0 110.649 -178.307 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.445 ' OE1' ' HA ' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -60.8 -41.8 96.36 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.581 -174.295 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.508 ' HA ' HD12 ' A' ' 78' ' ' ILE . 49.6 mm-40 -68.3 -34.43 76.12 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 120.776 0.322 . . . . 0.0 110.644 175.692 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.438 ' HB3' ' O ' ' A' ' 73' ' ' ASP . 64.1 tttm -59.2 -37.07 76.53 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.393 177.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.4 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 57.3 m170 -66.12 -46.35 77.87 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.575 0.702 . . . . 0.0 110.287 176.472 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.508 HD12 ' HA ' ' A' ' 75' ' ' GLU . 75.6 mt -59.59 -37.22 69.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 114.872 -1.058 . . . . 0.0 111.522 -178.312 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -55.16 -41.04 71.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.376 178.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 38.7 t-105 -71.25 -54.29 11.4 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 179.248 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 80.1 m-70 -59.37 -32.09 69.82 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 -178.016 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.414 ' HE2' ' HB3' ' A' ' 82' ' ' LYS . 36.6 ttpt -61.62 -42.77 99.35 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.845 0.355 . . . . 0.0 110.705 177.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.84 -28.56 64.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.946 0.403 . . . . 0.0 110.894 179.345 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.424 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.192 179.943 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.389 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -64.42 -49.08 72.94 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -169.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -70.76 -49.69 44.02 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.618 0.723 . . . . 0.0 110.468 177.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.464 ' O ' HG23 ' A' ' 97' ' ' VAL . 63.5 t80 -60.19 -37.93 81.72 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.58 -1.191 . . . . 0.0 112.303 -171.53 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.23 -41.47 79.56 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 -178.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 10.4 t -69.27 -30.68 68.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.01 0.433 . . . . 0.0 110.681 -176.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -72.55 -36.94 68.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.127 179.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 93' ' ' PHE . 54.9 t -63.99 -36.67 77.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.087 0.47 . . . . 0.0 110.523 178.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 65.0 mt-30 -61.35 -40.36 94.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.619 178.104 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -63.53 -41.69 98.46 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.311 178.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.4 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 4.7 t-160 -59.08 -44.31 91.88 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.001 177.625 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.566 HD22 HE21 ' A' ' 105' ' ' GLN . 1.4 tt -64.31 -43.33 95.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.567 -177.472 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -61.15 -35.94 78.45 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.388 0.613 . . . . 0.0 110.53 178.253 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -68.12 -47.3 68.51 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 114.944 -1.025 . . . . 0.0 111.011 -178.22 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -64.85 -28.63 69.69 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.521 -177.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.566 HE21 HD22 ' A' ' 101' ' ' LEU . 79.8 mt-30 -60.87 -36.27 78.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.732 0.301 . . . . 0.0 110.555 179.701 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.12 -40.01 95.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.339 177.545 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.622 ' O ' HG13 ' A' ' 111' ' ' ILE . 64.8 m170 -60.81 -49.94 75.44 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.206 177.696 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 95.9 t -59.55 -40.6 82.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.7 -177.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.51 ' HG3' ' O ' ' A' ' 105' ' ' GLN . 49.3 mt-10 -62.0 -38.06 87.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.746 0.308 . . . . 0.0 111.166 -178.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -72.06 -29.19 63.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.633 178.029 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.622 HG13 ' O ' ' A' ' 107' ' ' HIS . 23.1 mt -86.11 -64.49 1.06 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.331 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 -177.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 . . . . . 0 N--CA 1.464 0.263 0 N-CA-C 112.638 0.606 . . . . 0.0 112.638 -169.765 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.466 HD22 ' CD1' ' A' ' 51' ' ' TYR . 85.1 mt . . . . . 0 N--CA 1.465 0.312 0 N-CA-C 111.75 0.278 . . . . 0.0 111.75 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.429 HD21 HG13 ' A' ' 108' ' ' VAL . 0.9 OUTLIER -71.74 -41.95 67.86 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.849 -174.071 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.6 ttmm -61.33 -32.94 72.82 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.228 -177.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.84 -46.53 84.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.961 179.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.441 ' HG2' ' OH ' ' A' ' 51' ' ' TYR . 5.5 mm-40 -63.89 -47.31 81.14 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.734 177.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -62.82 -32.99 74.29 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.405 -178.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.414 ' O ' HG13 ' A' ' 17' ' ' ILE . 46.6 tt0 -65.69 -45.15 83.89 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 176.42 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.648 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -62.27 -46.87 93.02 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.498 -0.858 . . . . 0.0 111.59 175.388 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' ' 11' ' ' GLU . 77.0 mt -60.08 -43.75 93.49 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 C-N-CA 122.525 0.33 . . . . 0.0 110.974 178.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 57.0 tptt -54.55 -47.38 73.28 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.601 178.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.527 ' O ' HG23 ' A' ' 21' ' ' VAL . 56.1 mt -68.61 -42.87 83.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.85 179.339 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.648 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 96.1 mt -57.54 -39.78 77.36 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.874 0.368 . . . . 0.0 110.97 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -67.15 -34.1 76.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.271 178.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.1 -36.23 77.32 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.964 0.411 . . . . 0.0 110.371 175.508 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 17' ' ' ILE . 82.4 t -59.92 -37.41 71.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.95 178.367 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 98.1 mt -54.97 -46.15 75.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.846 -177.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.512 ' HB3' ' NZ ' ' A' ' 23' ' ' LYS . 8.1 mtpm? -69.11 -43.58 74.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.012 0.434 . . . . 0.0 110.944 178.4 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.529 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . 64.6 mttm -71.81 -21.15 61.74 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.583 -175.333 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.67 -34.9 70.08 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 172.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -71.73 -27.46 63.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.404 175.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.529 ' HG2' ' HA ' ' A' ' 24' ' ' LYS . 23.4 mm-40 -64.85 -40.25 94.86 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.565 174.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 81.54 32.81 29.67 Favored Glycine 0 N--CA 1.448 -0.548 0 CA-C-N 115.742 -0.663 . . . . 0.0 112.506 176.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -105.52 119.93 40.34 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.145 0.497 . . . . 0.0 110.402 177.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -77.02 -32.25 56.93 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.971 -174.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -67.87 -40.12 83.65 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.321 0.581 . . . . 0.0 109.711 178.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.437 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 35.5 tp10 -60.97 -48.37 82.12 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.032 174.14 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 32.6 mt -57.43 -42.69 82.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.394 -0.821 . . . . 0.0 112.122 -179.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.35 -39.97 94.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.876 0.37 . . . . 0.0 111.313 -179.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.456 HH11 ' HD2' ' A' ' 35' ' ' ARG . 17.6 ttm105 -65.6 -40.63 92.89 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.4 179.215 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.472 ' O ' HG13 ' A' ' 40' ' ' ILE . 91.6 mt -63.56 -45.61 89.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.269 -179.096 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -56.4 -42.33 77.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.787 -176.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.519 ' O ' ' HG2' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -55.76 -48.91 74.47 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.305 179.919 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -65.73 -31.86 73.09 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.394 -178.087 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' ' 36' ' ' LEU . 71.5 mt -66.02 -46.78 87.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.51 179.062 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.9 t -57.84 -41.0 78.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.364 179.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.519 ' HG2' ' O ' ' A' ' 38' ' ' GLN . 30.1 mmmt -60.34 -42.72 96.25 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.699 178.377 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.75 -46.68 65.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.205 -177.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.48 ' O ' HG23 ' A' ' 48' ' ' VAL . 13.3 mm-40 -59.71 -44.98 93.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.97 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.469 ' HD3' ' HA ' ' A' ' 45' ' ' LYS . 61.6 mmtt -67.95 -31.92 72.0 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.654 -0.248 . . . . 0.0 111.53 179.754 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 54.9 tp60 -60.15 -43.4 95.79 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 173.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.29 -46.75 93.27 Favored Glycine 0 N--CA 1.446 -0.638 0 CA-C-N 115.277 -0.874 . . . . 0.0 112.01 175.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 44' ' ' GLU . 93.0 t -54.34 -42.02 55.75 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-O 120.694 0.283 . . . . 0.0 111.277 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -59.98 -51.46 69.59 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.112 -179.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 29.0 m -70.49 -30.43 42.71 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.505 -178.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.466 ' CD1' HD22 ' A' ' 7' ' ' LEU . 14.9 m-85 -69.6 -38.07 77.16 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 116.898 -0.137 . . . . 0.0 111.17 178.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -70.02 -37.6 75.66 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 176.424 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -63.21 -37.89 89.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.966 176.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.89 -42.3 66.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.039 177.134 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.93 -39.61 90.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.775 0.322 . . . . 0.0 111.322 -179.417 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -82.48 -0.29 45.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.194 178.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -116.73 5.5 13.14 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.267 0.556 . . . . 0.0 109.544 177.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.7 148.4 48.05 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.48 -174.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -108.99 118.64 37.33 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.35 177.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 73.43 138.0 0.06 OUTLIER Pre-proline 0 N--CA 1.468 0.425 0 O-C-N 123.806 0.691 . . . . 0.0 110.586 -176.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_endo -56.54 -31.4 86.32 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 123.31 2.673 . . . . 0.0 113.287 -175.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -61.94 -42.26 98.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.883 0.373 . . . . 0.0 111.383 -177.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -70.63 -35.4 72.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.887 0.375 . . . . 0.0 110.069 -178.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.434 HH11 ' HD2' ' A' ' 64' ' ' ARG . 26.4 ttt85 -66.62 -37.73 85.47 Favored 'General case' 0 C--O 1.221 -0.423 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.327 177.319 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -55.87 -41.06 73.83 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 122.651 0.381 . . . . 0.0 110.843 179.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 96.8 t -62.37 -50.46 79.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.066 177.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 59.9 mt -67.13 -38.31 80.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -57.22 -44.55 83.85 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.826 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.427 ' C ' ' HD3' ' A' ' 69' ' ' LYS . 14.0 tmtt? -59.72 -42.92 94.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.533 178.674 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.487 ' O ' ' HG2' ' A' ' 74' ' ' GLU . 65.3 mt -64.75 -45.18 95.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.664 -179.564 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.0 tt -61.05 -48.91 79.58 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.222 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -61.07 -36.08 78.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.925 178.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -66.0 -45.65 80.8 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.676 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.492 ' O ' HG13 ' A' ' 78' ' ' ILE . 69.0 mm-40 -60.81 -39.43 88.93 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.45 -177.647 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -61.86 -35.23 77.68 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 120.848 0.356 . . . . 0.0 110.943 178.332 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.0 tmmt? -68.28 -33.62 74.69 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.02 177.019 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.549 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 53.2 m170 -65.14 -49.25 70.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.378 0.609 . . . . 0.0 110.115 177.335 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.62 ' O ' ' HG3' ' A' ' 82' ' ' LYS . 51.5 mt -63.01 -38.66 82.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.395 -178.204 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -56.94 -39.84 75.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.47 179.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.567 ' HZ2' ' HA ' ' A' ' 93' ' ' PHE . 16.9 t-105 -64.69 -52.35 57.7 Favored 'General case' 0 N--CA 1.457 -0.119 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.462 175.654 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 60.2 m-70 -56.72 -33.04 66.11 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.481 0.548 . . . . 0.0 112.481 -175.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.62 ' HG3' ' O ' ' A' ' 78' ' ' ILE . 80.4 mttt -61.87 -48.36 80.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.26 0.552 . . . . 0.0 110.316 177.212 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.71 -31.8 67.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.46 -177.248 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.434 0 CA-C-N 115.398 -0.819 . . . . 0.0 112.751 -174.337 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.353 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -65.73 -41.36 92.3 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.646 -174.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -63.04 -35.2 79.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.66 0.743 . . . . 0.0 109.73 -179.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.567 ' HA ' ' HZ2' ' A' ' 80' ' ' TRP . 71.2 t80 -71.42 -50.72 29.07 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.937 -1.028 . . . . 0.0 110.316 178.086 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.15 -44.33 92.1 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.765 -177.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 23.1 t -59.3 -44.36 92.53 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.953 0.406 . . . . 0.0 110.863 -179.294 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 8.5 mp -72.82 -32.12 65.28 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.516 179.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 93' ' ' PHE . 49.0 t -61.6 -37.42 77.87 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 175.056 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -58.27 -38.79 77.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.841 0.353 . . . . 0.0 110.764 175.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -67.97 -41.58 82.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.096 179.052 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.549 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 9.4 t-160 -60.35 -43.14 96.77 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.769 176.383 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.428 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 50.9 tp -58.85 -48.5 81.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.111 179.616 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.547 ' O ' ' HD3' ' A' ' 106' ' ' ARG . 32.1 mm-40 -65.32 -39.51 92.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.164 0.507 . . . . 0.0 110.463 178.638 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -57.52 -49.21 77.08 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.09 -0.959 . . . . 0.0 111.008 -178.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.404 ' HG2' ' O ' ' A' ' 100' ' ' HIS . 14.8 mm-40 -68.2 -32.63 72.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.465 -177.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.46 ' O ' ' HG3' ' A' ' 109' ' ' GLU . 79.6 mt-30 -61.67 -41.65 97.84 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.395 178.75 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.547 ' HD3' ' O ' ' A' ' 102' ' ' GLN . 3.4 mpt_? -66.43 -32.51 73.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.475 178.65 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 41.1 m170 -63.46 -46.41 86.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.445 174.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.429 HG13 HD21 ' A' ' 8' ' ' LEU . 79.2 t -62.44 -41.74 92.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.783 178.3 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.46 ' HG3' ' O ' ' A' ' 105' ' ' GLN . 47.5 mt-10 -59.13 -33.4 70.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.567 178.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -69.34 -48.1 62.39 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.901 0.381 . . . . 0.0 110.597 177.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 47.5 mm -72.41 -47.93 49.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.641 -175.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 . . . . . 0 C--N 1.324 -0.52 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.537 -176.821 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 78.6 mt . . . . . 0 C--O 1.235 0.291 0 N-CA-C 111.642 0.238 . . . . 0.0 111.642 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 84.3 mt -60.04 -36.69 77.85 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.998 0.428 . . . . 0.0 111.016 179.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.604 ' HA ' ' HE3' ' A' ' 9' ' ' LYS . 0.4 OUTLIER -61.76 -34.76 76.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.974 -0.557 . . . . 0.0 112.005 -174.543 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.77 -49.17 74.01 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 121.011 -0.276 . . . . 0.0 111.654 -174.203 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -70.31 -43.77 69.65 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.712 0.292 . . . . 0.0 110.711 178.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 73.4 mm-40 -58.57 -41.83 86.59 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.231 179.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.439 ' HB2' ' HE2' ' A' ' 9' ' ' LYS . 25.1 tt0 -69.4 -42.87 74.52 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.611 -178.44 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.563 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -58.88 -46.61 93.33 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.788 -0.72 . . . . 0.0 111.901 178.564 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.493 ' HA ' HD12 ' A' ' 18' ' ' LEU . 79.2 mt -60.93 -39.2 81.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.011 0.434 . . . . 0.0 110.871 177.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.7 tttm -64.93 -40.97 95.87 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.854 -177.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 65.3 mt -69.38 -36.46 72.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.528 178.291 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 97.0 mt -57.8 -36.98 72.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.979 178.27 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? -62.55 -37.26 85.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.156 179.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -66.55 -34.83 78.77 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.175 0.512 . . . . 0.0 110.334 179.031 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.494 HG21 HD11 ' A' ' 40' ' ' ILE . 58.8 t -64.35 -38.89 83.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.649 179.294 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 96.8 mt -61.13 -39.26 89.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.074 0.464 . . . . 0.0 110.589 177.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.521 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 92.7 mttt -65.59 -37.85 87.84 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.738 179.149 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 35.4 mmtm -83.15 -18.46 39.37 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.64 -177.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.446 ' HB1' ' HB2' ' A' ' 94' ' ' ALA . . . -67.45 -39.38 85.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.833 178.454 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.521 ' HG2' ' O ' ' A' ' 23' ' ' LYS . 65.2 pttt -71.96 -28.58 63.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.326 178.417 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -72.57 -33.38 66.73 Favored 'General case' 0 C--O 1.231 0.105 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 175.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 71.29 45.15 50.11 Favored Glycine 0 N--CA 1.448 -0.507 0 CA-C-N 115.771 -0.649 . . . . 0.0 113.614 171.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -126.42 130.18 50.2 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.013 174.23 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.558 ' HA ' ' HB2' ' A' ' 33' ' ' LEU . 42.1 tt0 -79.84 -18.95 49.53 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.798 -174.43 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -58.65 -48.3 81.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.021 0.438 . . . . 0.0 110.091 -178.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -72.93 -44.97 60.57 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.991 175.3 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.558 ' HB2' ' HA ' ' A' ' 30' ' ' GLU . 47.4 mt -57.19 -45.17 83.98 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.046 -0.524 . . . . 0.0 112.038 -176.102 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.53 -45.49 93.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.653 -0.249 . . . . 0.0 111.277 -177.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -66.44 -44.32 83.16 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.837 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.519 ' O ' HG13 ' A' ' 40' ' ' ILE . 92.3 mt -60.01 -42.3 94.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.187 177.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.423 ' O ' HG23 ' A' ' 41' ' ' VAL . 65.0 t30 -61.36 -40.77 95.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.059 177.573 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.862 HE21 ' HA ' ' A' ' 38' ' ' GLN . 0.0 OUTLIER -63.36 -38.77 92.43 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.444 178.23 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -65.04 -36.83 85.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.64 176.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.519 HG13 ' O ' ' A' ' 36' ' ' LEU . 82.1 mt -62.27 -47.31 93.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.474 177.362 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 37' ' ' ASN . 92.8 t -53.46 -53.09 26.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.327 179.194 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.427 ' HB3' ' HE2' ' A' ' 42' ' ' LYS . 48.2 mtpt -63.97 -39.44 94.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.771 -179.512 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.45 -46.5 79.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.359 -178.093 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.451 ' O ' HG23 ' A' ' 48' ' ' VAL . 36.4 mt-10 -69.69 -38.83 77.13 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.005 -178.308 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.518 ' HG3' HD13 ' A' ' 78' ' ' ILE . 59.2 mttm -66.12 -32.74 74.38 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 121.063 -0.255 . . . . 0.0 111.232 177.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 53.1 tp60 -63.61 -39.83 95.36 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 174.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.82 -44.99 93.93 Favored Glycine 0 N--CA 1.447 -0.596 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.398 174.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 44' ' ' GLU . 78.6 t -55.53 -39.86 56.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.708 0.29 . . . . 0.0 110.832 176.772 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.5 tmtt? -63.09 -49.52 74.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.674 -179.305 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 16.1 m -69.6 -32.69 53.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 C-N-CA 120.756 -0.378 . . . . 0.0 111.356 -179.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -67.56 -42.98 81.74 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.989 -0.284 . . . . 0.0 110.434 176.363 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.587 ' HE2' ' HA ' ' A' ' 52' ' ' LYS . 0.7 OUTLIER -59.55 -43.53 93.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.895 0.379 . . . . 0.0 111.105 176.393 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -67.04 -48.5 68.14 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.926 -178.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.0 -34.92 73.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.994 -176.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.58 -48.28 78.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.838 0.351 . . . . 0.0 111.498 -177.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -72.25 -21.94 61.31 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.124 -177.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -96.6 0.37 49.84 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.395 178.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.1 127.67 33.34 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.731 -179.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -78.4 -23.28 46.83 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.234 -179.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -105.36 117.79 57.39 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-O 120.804 0.335 . . . . 0.0 110.79 179.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -64.56 -34.68 51.57 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 123.211 2.607 . . . . 0.0 113.299 -178.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -60.66 -43.57 97.47 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.116 0.484 . . . . 0.0 110.048 -179.187 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 1.045 ' HE3' ' HA ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -71.18 -32.51 68.97 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.493 179.295 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -63.91 -40.31 96.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.615 178.109 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -39.33 84.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.517 178.43 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 85.9 t -62.95 -45.04 99.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.499 176.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 65.6 mt -65.33 -38.21 82.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.491 178.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -61.59 -40.3 94.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.719 177.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -59.44 -45.11 92.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.788 176.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.463 ' O ' ' HB2' ' A' ' 74' ' ' GLU . 69.9 mt -70.4 -41.74 78.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.52 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.434 HD21 ' HG2' ' A' ' 52' ' ' LYS . 1.4 tm? -55.76 -48.67 74.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.521 179.498 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.81 -40.98 97.92 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.545 -178.298 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.441 ' HB3' ' CE1' ' A' ' 107' ' ' HIS . 24.7 t0 -72.17 -42.89 65.36 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.118 -177.646 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.463 ' HB2' ' O ' ' A' ' 70' ' ' ILE . 1.7 tp10 -63.56 -41.31 98.41 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.636 -169.472 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.483 ' HA ' HD12 ' A' ' 78' ' ' ILE . 22.0 mm-40 -64.07 -35.48 80.89 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.877 0.37 . . . . 0.0 110.726 176.022 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -64.18 -33.11 75.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.372 179.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.586 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 64.6 m170 -62.31 -48.08 81.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.327 0.584 . . . . 0.0 110.134 176.353 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.518 HD13 ' HG3' ' A' ' 45' ' ' LYS . 52.7 mt -59.82 -48.85 86.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 114.802 -1.09 . . . . 0.0 110.701 -179.222 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -63.53 -32.97 74.59 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.61 177.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.413 ' HA ' ' CE3' ' A' ' 80' ' ' TRP . 4.3 t-105 -67.89 -49.06 64.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.505 -179.04 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -58.98 -36.74 75.37 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.686 177.111 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -69.3 -43.18 74.33 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.09 0.471 . . . . 0.0 110.49 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.63 -27.14 62.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.852 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 115.975 -0.557 . . . . 0.0 112.275 -175.745 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.592 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -65.52 -37.09 85.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.983 0.421 . . . . 0.0 111.252 -177.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -68.1 -42.26 80.57 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.51 -178.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -61.92 -42.39 99.04 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.23 175.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.446 ' HB2' ' HB1' ' A' ' 25' ' ' ALA . . . -58.22 -36.95 73.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.549 175.372 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 37.6 m -65.06 -35.99 82.92 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.66 179.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 9.8 mp -67.72 -33.84 75.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.427 176.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.414 HG13 HD22 ' A' ' 18' ' ' LEU . 61.5 t -65.31 -39.63 85.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.02 175.567 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.444 ' HG3' ' O ' ' A' ' 94' ' ' ALA . 52.1 mt-30 -64.03 -36.13 83.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.95 0.405 . . . . 0.0 110.421 177.485 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -63.39 -41.85 98.78 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.04 174.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.586 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 3.1 t-160 -60.05 -42.26 94.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.223 177.475 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.487 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 3.0 mm? -57.56 -49.55 75.99 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.593 -179.747 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 86.9 mm-40 -64.28 -36.34 83.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.41 0.624 . . . . 0.0 110.501 -178.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -65.52 -47.24 76.64 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.794 -179.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.413 ' O ' HG23 ' A' ' 108' ' ' VAL . 14.5 mm-40 -70.95 -30.77 67.16 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.102 -178.576 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.571 ' O ' ' HG3' ' A' ' 109' ' ' GLU . 95.0 mt-30 -61.11 -36.28 79.3 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.971 0.415 . . . . 0.0 110.194 177.133 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.41 ' HD2' ' OE1' ' A' ' 109' ' ' GLU . 13.5 mmm180 -67.5 -39.28 85.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.527 176.012 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.656 ' O ' HG13 ' A' ' 111' ' ' ILE . 54.6 m170 -61.29 -45.62 93.72 Favored 'General case' 0 CA--C 1.521 -0.136 0 CA-C-O 121.077 0.465 . . . . 0.0 110.159 174.551 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 104' ' ' GLU . 50.9 t -56.56 -39.4 62.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.643 179.661 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.571 ' HG3' ' O ' ' A' ' 105' ' ' GLN . 49.9 mt-10 -64.74 -35.17 80.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.916 0.389 . . . . 0.0 111.055 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.98 -37.74 75.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.812 176.416 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.656 HG13 ' O ' ' A' ' 107' ' ' HIS . 15.2 mt -82.52 -69.73 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.624 -175.747 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 . . . . . 0 N--CA 1.451 -0.377 0 CA-C-O 121.933 0.873 . . . . 0.0 111.503 -173.397 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 49.2 mt . . . . . 0 C--O 1.231 0.084 0 CA-C-O 121.026 0.441 . . . . 0.0 110.645 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.761 HD11 HG13 ' A' ' 108' ' ' VAL . 50.7 tp -60.29 -34.71 74.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.45 -177.635 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm -64.11 -32.73 74.41 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.476 -178.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.46 -44.62 92.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.901 0.381 . . . . 0.0 110.832 178.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -64.59 -42.3 95.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.716 178.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 76.6 mm-40 -65.48 -36.73 84.73 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.113 178.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.466 ' O ' HG13 ' A' ' 17' ' ' ILE . 24.6 tp60 -61.93 -44.36 96.93 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 177.048 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.545 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -59.5 -46.22 94.29 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.645 -0.788 . . . . 0.0 111.919 176.095 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.462 HG23 HD12 ' A' ' 101' ' ' LEU . 85.9 mt -57.14 -44.94 84.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.907 0.384 . . . . 0.0 111.154 177.755 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -60.16 -44.91 94.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.712 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.466 HG13 ' O ' ' A' ' 13' ' ' GLN . 59.6 mt -68.95 -36.11 72.41 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.729 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 80.9 mt -57.32 -40.09 77.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.194 179.543 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -66.76 -35.21 79.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.231 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -72.68 -34.79 67.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.574 -0.284 . . . . 0.0 110.509 177.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.536 HG21 HD11 ' A' ' 40' ' ' ILE . 70.5 t -64.12 -40.83 90.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.608 176.262 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 87.3 mt -55.42 -39.11 69.83 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-O 121.057 0.456 . . . . 0.0 110.586 176.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.541 ' O ' ' HG3' ' A' ' 27' ' ' GLU . 95.6 mttt -66.95 -46.97 73.07 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.466 178.381 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.7 ' HE2' ' HG2' ' A' ' 32' ' ' GLU . 38.2 mmtm -68.98 -31.79 70.89 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.349 -0.387 . . . . 0.0 112.015 -177.111 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.66 -35.34 72.8 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.036 0.446 . . . . 0.0 110.217 175.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -70.76 -38.16 73.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.648 176.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.541 ' HG3' ' O ' ' A' ' 23' ' ' LYS . 43.8 mt-10 -69.46 -37.96 77.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.728 177.618 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 88.22 30.73 15.93 Favored Glycine 0 N--CA 1.445 -0.7 0 C-N-CA 121.062 -0.59 . . . . 0.0 112.084 179.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.702 ' O ' ' HB2' ' A' ' 33' ' ' LEU . 20.1 t70 -100.55 109.24 21.32 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 179.617 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -77.69 -20.78 53.05 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.512 -174.017 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -69.81 -50.64 40.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.646 0.26 . . . . 0.0 110.999 -176.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.7 ' HG2' ' HE2' ' A' ' 24' ' ' LYS . 5.6 tp10 -73.97 -38.49 64.16 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.985 0.421 . . . . 0.0 109.884 176.567 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.702 ' HB2' ' O ' ' A' ' 29' ' ' ASP . 0.8 OUTLIER -58.75 -46.23 87.91 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.996 -176.278 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.23 -45.08 93.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.788 0.328 . . . . 0.0 110.528 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -59.07 -47.93 83.44 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.033 177.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.486 ' O ' HG13 ' A' ' 40' ' ' ILE . 81.0 mt -63.04 -44.56 95.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.559 178.579 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -56.45 -46.66 80.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.123 176.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.552 ' OE1' ' HA ' ' A' ' 38' ' ' GLN . 7.4 mm-40 -59.8 -44.84 93.76 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 115.296 -0.865 . . . . 0.0 111.423 178.035 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -64.67 -35.08 79.89 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.404 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.536 HD11 HG21 ' A' ' 21' ' ' VAL . 63.6 mt -62.65 -49.55 83.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.619 0.247 . . . . 0.0 110.476 177.523 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.647 HG13 HG23 ' A' ' 78' ' ' ILE . 84.4 t -54.63 -44.78 71.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.997 0.427 . . . . 0.0 110.676 178.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.6 mtpm? -63.42 -40.53 97.42 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.352 179.116 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.55 -46.3 66.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.181 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.473 ' O ' HG23 ' A' ' 48' ' ' VAL . 5.3 mm-40 -57.74 -47.08 83.46 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.761 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.566 ' HG3' HD13 ' A' ' 78' ' ' ILE . 56.6 mttm -69.97 -32.35 70.53 Favored 'General case' 0 CA--C 1.52 -0.197 0 N-CA-C 111.968 0.359 . . . . 0.0 111.968 -179.015 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 48.2 tp60 -64.61 -38.39 90.84 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 175.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -65.3 -47.06 83.91 Favored Glycine 0 N--CA 1.447 -0.608 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.448 174.042 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 44' ' ' GLU . 73.6 t -54.12 -41.85 52.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.008 0.432 . . . . 0.0 110.358 176.56 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -59.15 -51.49 69.78 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.326 -178.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 8.0 m -71.9 -32.0 42.84 Favored 'Isoleucine or valine' 0 C--O 1.237 0.418 0 N-CA-C 112.254 0.465 . . . . 0.0 112.254 -178.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -69.84 -51.23 35.27 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.498 0.19 . . . . 0.0 111.099 177.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -57.67 -36.56 72.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.158 -0.473 . . . . 0.0 109.999 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -56.9 -49.27 76.09 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.481 176.323 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.84 -35.62 64.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.883 -178.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.06 -46.12 79.05 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -173.055 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -81.27 -4.28 55.08 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.735 0.303 . . . . 0.0 111.595 -175.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 39.0 mtmt -118.32 17.92 13.78 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.135 0.493 . . . . 0.0 110.603 177.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -84.06 130.95 34.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.488 177.192 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 60.9 mtt180 -98.67 22.65 9.69 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.411 -176.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.414 ' O ' ' HB2' ' A' ' 64' ' ' ARG . 26.0 t-20 -141.18 118.06 7.6 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.197 176.735 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -63.35 -32.55 72.15 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.99 2.46 . . . . 0.0 113.343 -175.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -66.38 -43.88 84.67 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.104 0.478 . . . . 0.0 110.466 -176.477 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.403 ' O ' HG13 ' A' ' 67' ' ' ILE . 62.9 mttm -75.81 -33.71 60.13 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.215 176.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.414 ' HB2' ' O ' ' A' ' 60' ' ' ASN . 2.1 tmt_? -59.24 -43.42 92.4 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.359 -178.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -63.58 -42.18 98.32 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.028 179.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 91.8 t -59.52 -49.02 85.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.751 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 63' ' ' LYS . 63.1 mt -60.33 -40.9 85.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.973 -179.087 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -65.79 -44.24 86.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.662 -0.245 . . . . 0.0 111.327 -178.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -59.55 -44.64 93.19 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.715 0.293 . . . . 0.0 110.906 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.491 HG23 ' ND1' ' A' ' 107' ' ' HIS . 38.5 mt -68.74 -38.02 78.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.048 178.102 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.404 HD22 ' HA ' ' A' ' 71' ' ' LEU . 0.8 OUTLIER -55.98 -49.47 73.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.35 179.129 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -67.59 -35.43 78.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.612 179.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.463 ' HB3' ' CE1' ' A' ' 107' ' ' HIS . 0.4 OUTLIER -63.26 -43.8 96.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.286 0.565 . . . . 0.0 110.296 178.593 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -62.49 -41.58 98.89 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.133 -0.939 . . . . 0.0 110.903 -174.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.549 ' HA ' HD12 ' A' ' 78' ' ' ILE . 55.7 mm-40 -66.73 -34.86 78.77 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.878 0.37 . . . . 0.0 110.888 174.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -60.63 -35.78 77.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.415 178.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.509 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 44.4 m170 -63.35 -47.92 80.14 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.752 0.786 . . . . 0.0 109.735 177.103 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.647 HG23 HG13 ' A' ' 41' ' ' VAL . 63.7 mt -60.19 -38.04 75.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 114.394 -1.276 . . . . 0.0 111.116 -178.711 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -55.79 -40.11 72.21 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.805 177.239 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.422 ' CZ2' HD22 ' A' ' 96' ' ' LEU . 19.3 t-105 -70.13 -54.86 11.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.921 177.534 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 49.8 m-70 -56.29 -41.28 75.64 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 111.793 0.294 . . . . 0.0 111.793 -177.245 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 46.6 tttm -63.99 -40.2 95.84 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.987 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -73.39 -33.34 64.96 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 178.338 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.513 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 -169.955 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 -0.117 0 CA-C-O 121.315 0.578 . . . . 0.0 110.071 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.432 ' HG3' ' H ' ' A' ' 91' ' ' GLU . 0.0 OUTLIER -62.06 -46.7 87.95 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.512 -179.893 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.409 ' H ' ' CD ' ' A' ' 91' ' ' GLU . 5.2 tp-100 -67.47 -45.68 75.23 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.388 0.613 . . . . 0.0 110.053 178.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.65 ' O ' HG23 ' A' ' 97' ' ' VAL . 51.5 t80 -57.07 -43.62 82.25 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.02 -0.991 . . . . 0.0 111.332 -177.58 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.64 -45.55 81.53 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 -175.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.585 ' O ' ' HG2' ' A' ' 98' ' ' GLN . 39.0 m -65.0 -35.92 82.74 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.426 -178.014 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.422 HD22 ' CZ2' ' A' ' 80' ' ' TRP . 10.7 mp -74.66 -32.63 62.31 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -179.122 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 93' ' ' PHE . 84.2 t -61.5 -35.07 64.49 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -175.174 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.585 ' HG2' ' O ' ' A' ' 95' ' ' SER . 3.9 pt20 -56.78 -32.06 65.26 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 116.773 -0.194 . . . . 0.0 111.295 -176.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -67.53 -41.34 84.51 Favored 'General case' 0 C--O 1.226 -0.176 0 CA-C-N 116.879 -0.146 . . . . 0.0 111.07 178.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.509 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 9.8 t-160 -61.45 -38.8 88.51 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 177.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.545 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 46.7 tp -58.86 -48.77 80.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.828 178.336 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -68.93 -37.06 78.66 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 121.084 0.468 . . . . 0.0 111.036 178.192 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -59.25 -49.29 78.4 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.51 -177.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.53 ' O ' HG23 ' A' ' 108' ' ' VAL . 20.8 mm-40 -66.44 -29.59 69.76 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.998 -0.281 . . . . 0.0 110.638 -178.228 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.545 ' HG3' ' O ' ' A' ' 101' ' ' LEU . 77.2 mt-30 -63.54 -36.49 83.95 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 174.613 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.441 ' HD3' ' HA ' ' A' ' 106' ' ' ARG . 27.8 mmt180 -72.76 -32.79 65.9 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.34 176.08 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.491 ' ND1' HG23 ' A' ' 70' ' ' ILE . 15.2 m170 -59.95 -44.93 94.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.442 0.639 . . . . 0.0 109.544 171.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.761 HG13 HD11 ' A' ' 8' ' ' LEU . 87.0 t -62.92 -36.56 76.17 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.322 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.054 176.734 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.518 ' HG2' ' O ' ' A' ' 105' ' ' GLN . 19.0 mm-40 -56.18 -35.06 66.82 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.081 0.467 . . . . 0.0 111.306 179.104 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -71.61 -35.14 70.38 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.337 178.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 25.8 mt -86.08 -48.94 15.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.153 0.501 . . . . 0.0 111.069 -176.113 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.412 ' O ' ' HG3' ' A' ' 112' ' ' GLU . 53.3 tp10 . . . . . 0 N--CA 1.446 -0.63 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.865 -176.075 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 89.8 mt . . . . . 0 C--O 1.233 0.214 0 CA-C-O 120.835 0.35 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.851 HD21 HG21 ' A' ' 111' ' ' ILE . 80.1 mt -66.3 -31.94 73.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.233 -176.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -60.13 -34.75 73.95 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.706 -178.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.554 ' HB1' ' HA2' ' A' ' 47' ' ' GLY . . . -71.92 -46.94 55.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.559 -178.14 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -63.09 -39.02 93.46 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.158 0.504 . . . . 0.0 109.701 177.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 77.1 mm-40 -65.41 -33.19 75.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.494 177.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 59.2 tp60 -64.27 -46.5 83.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.301 -179.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.547 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -59.4 -45.83 94.86 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.747 -0.739 . . . . 0.0 111.897 177.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.459 ' HA ' HD12 ' A' ' 18' ' ' LEU . 79.9 mt -58.37 -41.15 80.65 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-O 120.733 0.301 . . . . 0.0 110.961 178.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.53 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 57.5 tttm -64.65 -47.07 79.86 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 121.029 -0.269 . . . . 0.0 110.56 179.665 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.518 ' O ' HG23 ' A' ' 21' ' ' VAL . 65.7 mt -62.94 -34.17 64.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.558 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 83.6 mt -57.42 -42.64 82.77 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.03 0.443 . . . . 0.0 110.42 174.764 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.424 ' HB3' ' NZ ' ' A' ' 19' ' ' LYS . 8.7 mtpm? -67.02 -38.45 85.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.867 178.377 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.53 ' HG2' ' O ' ' A' ' 16' ' ' LYS . 53.8 mm-40 -62.82 -43.26 99.28 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 121.134 0.492 . . . . 0.0 109.859 178.201 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 17' ' ' ILE . 88.7 t -62.38 -40.79 89.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.122 -179.649 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.524 HD21 ' HB ' ' A' ' 97' ' ' VAL . 82.8 mt -55.11 -40.44 70.48 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.147 0.499 . . . . 0.0 111.144 179.528 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -66.87 -45.07 79.26 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.845 -178.224 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.3 tppt? -77.41 -28.44 52.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.934 0.397 . . . . 0.0 111.246 -178.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.73 -32.03 73.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.517 178.051 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -71.5 -32.0 67.73 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 176.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -65.65 -42.81 90.99 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.929 174.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 84.36 42.13 7.59 Favored Glycine 0 N--CA 1.449 -0.478 0 CA-C-N 115.735 -0.666 . . . . 0.0 112.636 176.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -91.75 111.21 22.64 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.021 -0.362 . . . . 0.0 110.021 178.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -61.7 -39.52 91.77 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.689 -177.179 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -68.95 -48.16 63.9 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.026 -173.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.472 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 42.2 mt-10 -71.55 -37.69 71.08 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.045 178.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 33' ' ' LEU . 7.1 mt -58.78 -36.41 74.36 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 111.613 0.227 . . . . 0.0 111.613 179.183 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.91 -42.24 98.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.166 0.508 . . . . 0.0 110.387 177.245 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 23.0 ttm180 -71.29 -35.35 71.28 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.428 177.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' A' ' 32' ' ' GLU . 81.1 mt -62.72 -39.83 95.26 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.64 -0.254 . . . . 0.0 110.827 176.361 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.454 ' O ' HG23 ' A' ' 41' ' ' VAL . 3.5 t-20 -57.43 -45.28 84.85 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 174.254 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.428 ' OE1' ' HA ' ' A' ' 38' ' ' GLN . 14.4 mm-40 -62.85 -44.6 95.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.991 176.175 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -61.71 -42.98 99.67 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.205 -177.422 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 36' ' ' LEU . 65.8 mt -59.62 -45.14 94.47 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-O 120.634 0.254 . . . . 0.0 110.468 179.029 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 37' ' ' ASN . 84.8 t -59.2 -46.33 92.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.268 179.129 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -64.11 -36.71 84.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.505 178.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.26 -48.2 57.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.323 -177.174 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.609 ' O ' HG23 ' A' ' 48' ' ' VAL . 7.8 mm-40 -62.83 -44.7 95.44 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.097 -0.502 . . . . 0.0 109.974 179.537 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.467 ' HD3' ' HA ' ' A' ' 45' ' ' LYS . 55.9 mmtt -60.28 -33.94 73.05 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.822 178.412 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 50.1 tp60 -60.75 -43.6 97.76 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 177.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.554 ' HA2' ' HB1' ' A' ' 10' ' ' ALA . . . -70.15 -46.39 50.91 Favored Glycine 0 N--CA 1.448 -0.553 0 CA-C-N 115.483 -0.78 . . . . 0.0 112.646 177.211 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.609 HG23 ' O ' ' A' ' 44' ' ' GLU . 48.7 t -59.53 -41.92 86.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 122.874 -0.192 . . . . 0.0 111.447 -176.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 48.7 tttp -56.64 -49.57 74.63 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.29 -176.552 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 24.3 m -70.65 -35.04 59.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -69.37 -36.68 77.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.506 0.193 . . . . 0.0 111.0 177.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -56.62 -43.17 79.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.712 0.291 . . . . 0.0 110.81 176.543 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -68.57 -45.99 70.62 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.469 176.275 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.7 -33.03 74.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.525 -0.761 . . . . 0.0 112.494 -174.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.53 -42.5 78.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.025 0.441 . . . . 0.0 111.728 -177.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -99.36 14.39 29.85 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.976 -178.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -127.78 15.65 6.94 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 174.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.52 141.92 53.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.921 -1.036 . . . . 0.0 111.467 -177.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 83.2 mtm180 -79.85 -25.29 40.8 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.897 -178.123 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.554 ' HB2' ' HG2' ' A' ' 63' ' ' LYS . 16.1 m120 -128.43 135.25 27.27 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.369 -177.228 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -57.7 -38.26 93.82 Favored 'Trans proline' 0 CA--C 1.53 0.306 0 C-N-CA 122.79 2.327 . . . . 0.0 112.611 178.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -64.49 -35.94 82.57 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 121.021 0.439 . . . . 0.0 110.6 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.554 ' HG2' ' HB2' ' A' ' 60' ' ' ASN . 72.8 mmtt -71.27 -33.73 70.03 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.406 -178.625 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 23.5 ttt180 -64.27 -39.32 93.69 Favored 'General case' 0 C--O 1.227 -0.12 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 175.438 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -55.44 -44.06 75.96 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.146 177.1 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 87.7 t -65.28 -50.89 70.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.875 177.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 63' ' ' LYS . 76.2 mt -60.64 -43.74 95.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.234 -177.541 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -66.4 -39.86 89.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.753 0.311 . . . . 0.0 110.684 -178.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -59.89 -42.45 93.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.219 0.533 . . . . 0.0 109.601 177.017 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 45.6 mt -70.61 -38.08 72.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.832 176.106 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 16.2 mt -55.6 -39.58 70.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.854 0.359 . . . . 0.0 111.53 176.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -68.42 -41.19 80.73 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.826 174.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.435 ' HB3' ' CE1' ' A' ' 107' ' ' HIS . 0.2 OUTLIER -71.81 -47.38 53.68 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.635 -0.711 . . . . 0.0 112.216 -174.74 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.588 ' HB3' HG22 ' A' ' 48' ' ' VAL . 1.2 tp10 -60.93 -36.84 80.38 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.952 -172.349 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.604 ' OE2' HG11 ' A' ' 48' ' ' VAL . 65.3 mm-40 -69.45 -41.49 76.18 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.275 0.559 . . . . 0.0 110.388 173.212 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -59.72 -34.33 72.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.681 179.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.582 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 62.5 m170 -64.13 -47.89 78.21 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.485 177.321 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.417 HG13 ' O ' ' A' ' 74' ' ' GLU . 62.9 mt -58.59 -49.75 81.37 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.78 -178.088 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -63.79 -34.2 77.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.806 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 30.6 t-105 -61.13 -56.56 19.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.561 179.126 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.454 ' HE1' HG22 ' A' ' 97' ' ' VAL . 50.1 m-70 -60.08 -46.4 89.72 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -179.292 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.46 ' HD2' ' HA ' ' A' ' 82' ' ' LYS . 39.3 tptt -62.83 -44.01 97.27 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.769 -0.372 . . . . 0.0 111.133 -174.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.34 -36.07 82.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.893 0.378 . . . . 0.0 111.307 -178.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.45 0 CA-C-O 121.019 0.438 . . . . 0.0 111.311 -179.326 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.232 0 CA-C-O 120.836 0.351 . . . . 0.0 111.365 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -69.41 -40.06 77.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.883 0.373 . . . . 0.0 111.02 -175.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -64.34 -34.83 79.05 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.234 0.54 . . . . 0.0 109.933 178.099 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -67.98 -38.68 83.01 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.221 176.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.24 -33.42 75.78 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.073 178.192 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 21.5 t -63.64 -33.08 74.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.36 178.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 9.8 mp -69.95 -35.05 74.2 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.543 177.14 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.524 ' HB ' HD21 ' A' ' 22' ' ' LEU . 39.9 t -65.24 -34.54 71.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.229 178.039 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -56.4 -45.1 80.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.07 179.623 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -67.89 -37.73 82.12 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.057 0.456 . . . . 0.0 110.256 178.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.582 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 3.9 t-160 -60.15 -43.09 96.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.861 177.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.497 ' HG ' HE21 ' A' ' 105' ' ' GLN . 51.7 tp -62.93 -48.32 79.44 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.937 -179.528 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -58.52 -38.96 78.81 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 121.449 0.642 . . . . 0.0 110.039 177.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -65.19 -49.39 69.94 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.814 -1.085 . . . . 0.0 111.85 -178.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.435 ' O ' ' HB2' ' A' ' 107' ' ' HIS . 27.2 mm-40 -65.44 -26.59 68.03 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.585 0.231 . . . . 0.0 110.712 -177.709 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.497 HE21 ' HG ' ' A' ' 101' ' ' LEU . 80.8 mt-30 -61.53 -41.03 96.73 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.219 175.449 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 64.0 mtt180 -72.55 -29.72 63.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.942 176.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.539 ' O ' HG12 ' A' ' 111' ' ' ILE . 14.7 m170 -57.26 -45.38 84.08 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 173.265 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 104' ' ' GLU . 28.1 t -68.83 -35.77 71.05 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.141 176.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.401 ' HG3' ' O ' ' A' ' 105' ' ' GLN . 36.4 mt-10 -55.75 -45.94 77.96 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 111.868 0.321 . . . . 0.0 111.868 -177.548 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.57 -28.87 67.34 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.343 179.567 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.851 HG21 HD21 ' A' ' 8' ' ' LEU . 36.0 mm -64.22 -65.94 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.773 0.32 . . . . 0.0 110.79 179.426 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 . . . . . 0 N--CA 1.447 -0.604 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.184 -176.985 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.437 ' CD2' HG12 ' A' ' 50' ' ' VAL . 89.8 mt . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.778 0.323 . . . . 0.0 110.94 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.41 HD21 HG21 ' A' ' 111' ' ' ILE . 88.4 mt -59.2 -30.68 68.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.936 -173.341 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 35.9 mtmt -59.45 -36.44 75.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.723 0.297 . . . . 0.0 110.898 -178.29 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.73 -46.3 66.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 -177.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -66.38 -41.49 89.32 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.123 179.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 79.5 mm-40 -64.78 -35.75 82.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.104 177.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.3 tp60 -60.31 -46.44 89.85 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.597 178.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.652 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -60.05 -46.71 93.7 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.752 -0.737 . . . . 0.0 111.745 177.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.473 ' HA ' HD12 ' A' ' 18' ' ' LEU . 75.1 mt -57.7 -43.88 84.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.689 0.28 . . . . 0.0 111.1 178.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.438 ' HD3' ' C ' ' A' ' 16' ' ' LYS . 0.8 OUTLIER -59.55 -46.45 88.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.39 179.895 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.464 ' O ' HG23 ' A' ' 21' ' ' VAL . 72.1 mt -61.77 -41.46 90.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.556 178.546 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.652 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 94.3 mt -57.65 -37.28 73.1 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.175 179.407 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.421 ' HG3' ' O ' ' A' ' 15' ' ' ILE . 30.2 mtpp -64.17 -41.93 96.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.2 179.238 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -66.45 -34.53 78.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.733 -177.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 17' ' ' ILE . 60.2 t -60.94 -39.45 82.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.98 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 99.0 mt -59.43 -35.47 74.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.59 178.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 80.7 mttt -72.21 -42.73 65.43 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.335 179.116 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.413 ' HG3' ' CD1' ' A' ' 36' ' ' LEU . 75.7 mmtt -67.98 -21.13 65.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.469 -178.018 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.61 -42.66 93.16 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.351 179.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 59.8 mttm -73.23 -26.69 61.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.864 179.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -69.07 -41.63 77.31 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 174.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.36 19.29 78.43 Favored Glycine 0 N--CA 1.45 -0.406 0 CA-C-N 115.815 -0.63 . . . . 0.0 113.119 173.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -90.34 118.22 29.67 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.969 0.414 . . . . 0.0 110.844 -178.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -57.29 -42.49 81.79 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.689 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.515 ' O ' ' HB2' ' A' ' 35' ' ' ARG . 80.4 mt-30 -64.52 -44.87 89.51 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-O 120.504 0.193 . . . . 0.0 110.874 -173.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -62.98 -47.86 81.32 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.092 0.473 . . . . 0.0 110.622 175.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.503 HD22 ' CE2' ' A' ' 93' ' ' PHE . 19.0 mt -65.61 -45.78 81.83 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.492 -0.777 . . . . 0.0 112.295 -175.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.3 -34.61 77.73 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.905 0.383 . . . . 0.0 110.594 179.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.515 ' HB2' ' O ' ' A' ' 31' ' ' GLN . 33.8 ttt180 -65.04 -43.85 91.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.89 177.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.486 ' O ' HG13 ' A' ' 40' ' ' ILE . 41.8 mt -65.79 -39.19 90.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.86 177.14 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -61.03 -39.98 91.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 0.0 109.837 176.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -63.13 -42.18 99.45 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.56 175.474 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.458 ' HA ' ' HE3' ' A' ' 42' ' ' LYS . 69.1 mm-40 -58.95 -45.16 91.16 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.769 178.309 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.486 HG13 ' O ' ' A' ' 36' ' ' LEU . 81.4 mt -56.85 -49.12 79.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.196 -179.147 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.524 HG13 HG23 ' A' ' 78' ' ' ILE . 95.2 t -58.64 -56.51 16.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.645 -175.417 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.458 ' HE3' ' HA ' ' A' ' 39' ' ' GLU . 14.9 pttp -66.69 -35.88 81.2 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -178.477 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.38 -46.99 74.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.547 0.213 . . . . 0.0 111.222 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.413 ' O ' HG23 ' A' ' 48' ' ' VAL . 7.9 mt-10 -68.64 -35.16 76.91 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.726 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.622 ' HE2' HG21 ' A' ' 78' ' ' ILE . 57.3 mmtt -59.09 -44.05 91.87 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.802 0.334 . . . . 0.0 110.572 175.009 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.479 ' O ' HG23 ' A' ' 50' ' ' VAL . 54.6 tp60 -61.89 -41.15 97.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.809 176.737 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.83 -47.55 90.43 Favored Glycine 0 N--CA 1.448 -0.551 0 CA-C-N 115.771 -0.65 . . . . 0.0 112.727 178.396 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 44' ' ' GLU . 78.2 t -60.81 -40.33 84.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.778 0.323 . . . . 0.0 110.33 178.716 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 56.5 tttm -56.29 -49.85 73.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.106 178.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 46' ' ' GLN . 21.2 t -70.86 -46.14 69.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.116 -178.329 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -59.02 -45.45 90.67 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.442 -179.285 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.427 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 81.4 tttt -64.52 -35.27 80.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.688 -176.308 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -64.41 -47.63 78.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.447 179.049 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.98 -33.92 74.46 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.195 -178.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.33 -47.11 86.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.53 -179.116 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' ' 52' ' ' LYS . 9.7 pt-20 -82.46 -2.49 53.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.696 0.284 . . . . 0.0 111.724 -177.523 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -102.62 -5.57 23.72 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.874 0.368 . . . . 0.0 110.392 174.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -81.88 175.47 10.38 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.024 -178.018 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 56.7 mtm180 -110.03 141.01 43.44 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.888 -177.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.475 ' HA ' ' HD2' ' A' ' 61' ' ' PRO . 61.8 t30 71.07 112.84 0.03 OUTLIER Pre-proline 0 N--CA 1.466 0.364 0 O-C-N 124.326 1.017 . . . . 0.0 110.633 -176.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.475 ' HD2' ' HA ' ' A' ' 60' ' ' ASN . 12.7 Cg_endo -55.6 -21.38 31.05 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 123.746 2.964 . . . . 0.0 113.189 -175.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.481 ' O ' HG23 ' A' ' 66' ' ' VAL . 40.5 mt-10 -66.04 -40.68 91.2 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.699 0.285 . . . . 0.0 110.459 177.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -70.34 -34.6 72.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.206 0.526 . . . . 0.0 109.709 176.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -60.9 -43.19 98.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.232 173.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.583 ' HA ' ' HB3' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -63.19 -35.73 81.28 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.041 -179.08 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 62' ' ' GLU . 93.1 t -59.12 -47.75 89.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.114 0.483 . . . . 0.0 109.985 178.418 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.443 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 59.2 mt -69.32 -39.14 78.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.281 176.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.583 ' HB3' ' HA ' ' A' ' 65' ' ' GLN . 19.0 t70 -56.34 -37.63 70.25 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.634 177.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 22.8 mtpp -58.97 -45.61 90.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.043 0.449 . . . . 0.0 110.562 176.477 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.423 ' O ' ' HB2' ' A' ' 74' ' ' GLU . 37.4 mt -71.05 -38.21 70.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.366 177.235 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.465 HD12 ' HA ' ' A' ' 68' ' ' ASP . 68.1 mt -55.94 -43.22 77.23 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.068 0.461 . . . . 0.0 110.993 175.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -70.05 -46.81 64.2 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.138 178.084 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -62.06 -46.64 88.23 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.718 -178.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.423 ' HB2' ' O ' ' A' ' 70' ' ' ILE . 4.5 tp10 -63.58 -36.99 85.62 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.9 -173.184 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -62.57 -37.67 87.08 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 120.974 0.416 . . . . 0.0 110.84 176.015 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -60.68 -34.19 73.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.632 -179.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.565 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 60.0 m170 -63.92 -49.11 73.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.455 0.645 . . . . 0.0 110.062 177.004 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.622 HG21 ' HE2' ' A' ' 45' ' ' LYS . 45.4 mt -63.74 -45.93 95.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 114.767 -1.106 . . . . 0.0 110.716 -176.642 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -56.73 -34.39 67.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.065 178.283 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.459 ' HE1' ' HG ' ' A' ' 96' ' ' LEU . 22.7 t-105 -71.32 -57.64 4.27 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.569 178.703 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -62.14 -32.41 73.01 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 112.084 0.401 . . . . 0.0 112.084 -177.197 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 53.8 tttm -67.55 -46.68 72.02 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.01 0.433 . . . . 0.0 110.673 179.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.98 -38.87 69.62 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.666 179.288 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.412 0 CA-C-N 116.16 -0.473 . . . . 0.0 112.24 -174.513 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 111.932 0.345 . . . . 0.0 111.932 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -65.38 -48.79 71.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.784 -172.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 -68.69 -40.78 79.87 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.201 0.524 . . . . 0.0 110.559 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.503 ' CE2' HD22 ' A' ' 33' ' ' LEU . 19.5 t80 -62.26 -40.2 95.41 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.825 -178.563 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.69 -28.81 70.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.966 179.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 11.9 m -77.06 -45.17 28.02 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.971 0.415 . . . . 0.0 110.431 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.459 ' HG ' ' HE1' ' A' ' 80' ' ' TRP . 4.2 mm? -69.7 -38.48 76.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.773 -177.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 10.7 p -63.32 -34.35 66.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.715 0.293 . . . . 0.0 110.991 -179.153 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -65.65 -36.87 84.93 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 179.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 73.0 mm-40 -65.81 -39.16 90.63 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.777 177.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.565 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 4.7 t-160 -57.94 -43.17 86.2 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.535 176.696 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 52.3 tp -59.66 -46.41 89.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.989 178.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -63.91 -37.85 88.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -61.29 -49.17 78.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.979 179.008 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.476 ' HG2' ' O ' ' A' ' 100' ' ' HIS . 23.8 mm-40 -65.23 -26.79 68.27 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.053 -176.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -65.28 -33.48 76.09 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.648 177.456 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.502 ' HA ' ' HG2' ' A' ' 109' ' ' GLU . 23.5 ttt85 -72.57 -32.79 66.31 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 174.407 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.595 ' O ' HG12 ' A' ' 111' ' ' ILE . 17.8 m170 -58.48 -41.76 86.0 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 178.359 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 91.8 t -58.27 -50.59 77.93 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.052 178.268 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.502 ' HG2' ' HA ' ' A' ' 106' ' ' ARG . 6.3 pt-20 -68.38 -34.65 76.43 Favored 'General case' 0 C--O 1.224 -0.251 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.978 -177.198 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -68.46 -29.8 68.51 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.311 -0.556 . . . . 0.0 110.464 177.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.595 HG12 ' O ' ' A' ' 107' ' ' HIS . 31.9 mm -66.12 -64.91 0.64 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.893 174.143 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 . . . . . 0 C--O 1.235 0.314 0 N-CA-C 112.943 0.72 . . . . 0.0 112.943 -172.11 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.507 ' HG ' HG12 ' A' ' 50' ' ' VAL . 8.4 mp . . . . . 0 C--O 1.233 0.194 0 CA-C-O 120.784 0.326 . . . . 0.0 111.514 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 79.3 mt -59.72 -30.33 68.75 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.494 0.554 . . . . 0.0 112.494 -174.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -59.09 -44.93 91.96 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 111.773 0.286 . . . . 0.0 111.773 -174.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.89 -42.39 85.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.644 0.259 . . . . 0.0 110.901 -177.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -63.95 -41.8 97.49 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.196 0.522 . . . . 0.0 109.806 177.311 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -63.49 -35.12 79.41 Favored 'General case' 0 N--CA 1.457 -0.111 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.966 177.26 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.462 ' O ' HG13 ' A' ' 17' ' ' ILE . 40.6 mt-30 -62.57 -45.99 90.4 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.825 177.699 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.603 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -60.89 -46.21 95.01 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.574 -0.822 . . . . 0.0 111.523 176.401 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 80.4 mt -59.53 -42.9 89.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.75 -0.225 . . . . 0.0 110.998 177.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.617 ' HA ' ' HD3' ' A' ' 19' ' ' LYS . 82.7 tttt -57.31 -47.37 81.67 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.668 0.271 . . . . 0.0 110.792 179.568 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.462 HG13 ' O ' ' A' ' 13' ' ' GLN . 52.5 mt -63.95 -41.23 91.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.351 179.591 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.603 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 96.8 mt -57.6 -41.45 81.26 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.493 177.713 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.617 ' HD3' ' HA ' ' A' ' 16' ' ' LYS . 25.7 mtpp -61.37 -37.19 82.47 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.976 178.673 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -73.66 -41.85 62.14 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.534 178.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.476 HG13 HD22 ' A' ' 33' ' ' LEU . 66.7 t -59.64 -39.68 80.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.285 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 87.9 mt -55.03 -43.66 73.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.889 0.376 . . . . 0.0 111.102 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 38.9 mtmm -72.09 -44.02 63.9 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.03 0.443 . . . . 0.0 110.944 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -70.0 -28.3 65.4 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.858 -175.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.52 ' HA ' HD11 ' A' ' 33' ' ' LEU . . . -71.58 -35.87 70.69 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.818 0.342 . . . . 0.0 110.891 178.207 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -72.13 -31.81 66.35 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 121.138 0.494 . . . . 0.0 110.111 176.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -69.66 -30.77 68.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.364 175.235 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 86.77 31.54 17.86 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.974 -0.632 . . . . 0.0 112.105 179.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.495 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 40.8 t0 -96.61 80.34 3.09 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.353 0.597 . . . . 0.0 110.297 -179.642 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.438 ' HA ' HD12 ' A' ' 33' ' ' LEU . 37.8 mt-10 -69.76 -21.33 63.45 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.508 -175.344 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -64.03 -47.88 78.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.881 0.372 . . . . 0.0 110.533 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -71.46 -38.14 71.29 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.759 175.08 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.52 HD11 ' HA ' ' A' ' 25' ' ' ALA . 81.6 mt -57.06 -41.55 78.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.398 -178.048 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.54 -42.35 98.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.896 0.379 . . . . 0.0 111.035 178.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 16.1 ttm180 -71.44 -43.85 65.93 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.573 ' O ' HG13 ' A' ' 40' ' ' ILE . 93.7 mt -60.94 -38.72 86.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.508 178.573 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 44.4 t-20 -55.98 -48.08 76.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.885 177.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -60.68 -43.12 98.11 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.328 177.119 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -66.74 -34.69 78.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.854 -177.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.573 HG13 ' O ' ' A' ' 36' ' ' LEU . 86.0 mt -57.43 -46.67 85.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 175.533 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.829 HG13 HG23 ' A' ' 78' ' ' ILE . 89.6 t -55.58 -43.41 72.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.628 177.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -63.32 -38.7 92.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.013 179.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.15 -47.01 72.3 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.574 178.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.508 ' HG2' ' O ' ' A' ' 40' ' ' ILE . 5.7 mm-40 -59.27 -46.0 89.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.369 178.264 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.551 ' HE2' HG21 ' A' ' 78' ' ' ILE . 65.4 mmtt -60.92 -41.85 96.97 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.449 -179.739 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.419 ' O ' HG23 ' A' ' 50' ' ' VAL . 58.6 tp60 -60.83 -41.77 96.45 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 178.122 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.32 -46.83 93.63 Favored Glycine 0 N--CA 1.446 -0.659 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.936 176.271 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 44' ' ' GLU . 79.6 t -54.85 -41.55 57.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.672 0.272 . . . . 0.0 111.244 178.634 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.1 -43.88 97.88 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.934 0.397 . . . . 0.0 110.852 179.428 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.507 HG12 ' HG ' ' A' ' 7' ' ' LEU . 46.2 t -69.51 -39.93 79.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.212 179.275 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -61.87 -44.89 95.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.371 177.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.416 ' HG3' HD11 ' A' ' 71' ' ' LEU . 86.1 mttt -58.44 -37.8 76.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.421 178.023 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -67.54 -51.65 48.26 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.033 0.444 . . . . 0.0 110.317 177.192 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.98 -31.67 73.02 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.753 -177.058 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.15 -45.91 92.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.65 -179.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -83.22 -5.43 59.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.112 0.482 . . . . 0.0 110.442 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 42.5 mmtm -92.44 15.28 14.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.846 171.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -82.25 105.25 13.18 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.115 0.483 . . . . 0.0 111.702 -178.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -68.48 -27.3 66.02 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.817 171.324 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 25.5 t30 -125.81 122.71 24.6 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.811 -179.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_exo -53.55 -26.26 36.08 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 123.449 2.766 . . . . 0.0 113.634 -177.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -63.63 -33.45 75.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.023 0.44 . . . . 0.0 110.767 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 27.8 ttpp -72.34 -30.3 64.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.66 178.182 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 31.8 ttp85 -69.05 -37.89 78.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.027 178.227 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -57.28 -44.9 84.44 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.149 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 57.7 t -62.45 -44.35 99.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.191 0.52 . . . . 0.0 110.554 178.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 80.6 mt -67.73 -44.07 86.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.144 -179.059 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -59.93 -46.6 88.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.538 -179.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 56.8 tttm -59.44 -44.6 92.89 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.992 -179.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 78.5 mt -71.17 -43.61 74.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.26 179.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.416 HD11 ' HG3' ' A' ' 52' ' ' LYS . 5.4 tt -61.02 -49.54 76.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.726 -176.294 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -63.8 -35.12 79.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.476 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.502 ' HB3' ' CE1' ' A' ' 107' ' ' HIS . 22.8 t0 -66.39 -46.26 77.21 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.424 0.631 . . . . 0.0 109.518 176.034 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.28 -38.77 84.6 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.518 -177.487 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -68.61 -33.99 74.99 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-O 120.983 0.42 . . . . 0.0 110.436 177.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -67.79 -35.88 79.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.562 177.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 63.2 m170 -61.19 -47.64 85.21 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.288 0.566 . . . . 0.0 109.828 177.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.829 HG23 HG13 ' A' ' 41' ' ' VAL . 89.0 mt -57.75 -45.26 86.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.609 179.589 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -56.66 -41.32 77.06 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.056 177.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 33.1 t-105 -67.63 -48.59 66.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.875 0.369 . . . . 0.0 110.29 178.226 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 31.8 m-70 -58.66 -31.85 68.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.138 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.475 ' HG3' ' O ' ' A' ' 78' ' ' ILE . 51.6 mtpt -59.31 -46.56 88.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.827 0.346 . . . . 0.0 110.793 177.513 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.3 -44.54 62.58 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.348 178.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.31 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 -172.283 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.118 0 CA-C-O 120.83 0.348 . . . . 0.0 110.212 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -68.39 -47.11 68.19 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.23 0.538 . . . . 0.0 110.118 -179.022 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -65.98 -35.36 80.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.529 176.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.54 ' O ' HG23 ' A' ' 97' ' ' VAL . 5.0 t80 -60.91 -47.41 86.55 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.793 -176.47 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.473 ' O ' ' HG3' ' A' ' 98' ' ' GLN . . . -57.15 -34.68 68.67 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.206 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 10.0 t -70.71 -39.84 73.19 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.651 -178.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -72.12 -34.92 68.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.166 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 93' ' ' PHE . 86.6 t -62.2 -36.39 74.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.76 178.773 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.473 ' HG3' ' O ' ' A' ' 94' ' ' ALA . 79.0 mt-30 -57.34 -42.19 81.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.611 177.38 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -63.32 -42.03 98.96 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.554 178.614 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.514 ' O ' ' HG2' ' A' ' 104' ' ' GLU . 5.6 t-160 -63.92 -45.24 90.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.863 177.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.463 ' HG ' HE21 ' A' ' 105' ' ' GLN . 54.8 tp -60.01 -48.8 80.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.192 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -64.72 -33.96 77.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.366 0.603 . . . . 0.0 110.451 178.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -63.4 -44.68 93.97 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.575 177.166 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.514 ' HG2' ' O ' ' A' ' 100' ' ' HIS . 17.9 mm-40 -70.35 -32.53 70.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.493 -178.614 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.463 HE21 ' HG ' ' A' ' 101' ' ' LEU . 77.8 mt-30 -61.02 -38.66 86.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.245 0.545 . . . . 0.0 109.996 176.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 65.8 mtm180 -64.58 -30.63 71.65 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.96 176.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.502 ' CE1' ' HB3' ' A' ' 73' ' ' ASP . 51.3 m170 -68.51 -49.91 56.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.926 175.333 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 48.2 t -65.9 -42.09 91.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.968 -175.02 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -57.0 -38.45 73.08 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 -175.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -70.83 -28.76 64.84 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.674 0.273 . . . . 0.0 111.131 179.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 62.1 mt -78.56 -32.46 16.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.84 0.352 . . . . 0.0 111.333 -179.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 121.03 0.443 . . . . 0.0 111.811 -176.001 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.456 HD21 HG11 ' A' ' 50' ' ' VAL . 94.4 mt . . . . . 0 N--CA 1.461 0.101 0 CA-C-O 121.181 0.515 . . . . 0.0 110.324 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.558 HD11 HG13 ' A' ' 108' ' ' VAL . 0.3 OUTLIER -67.19 -37.69 84.11 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.957 -0.756 . . . . 0.0 108.957 175.559 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.88 -35.07 77.25 Favored 'General case' 0 C--O 1.225 -0.191 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.881 177.15 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.25 -46.58 89.32 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.754 179.263 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -67.59 -39.28 84.8 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.592 177.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -63.72 -40.46 96.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.815 177.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.578 ' O ' HG13 ' A' ' 17' ' ' ILE . 48.4 tt0 -69.61 -37.42 76.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.921 177.28 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.492 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -58.15 -46.51 92.64 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.82 -0.705 . . . . 0.0 111.609 174.782 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 77.8 mt -63.59 -39.54 85.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.843 0.354 . . . . 0.0 110.301 175.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.416 ' HB3' ' O ' ' A' ' 13' ' ' GLN . 43.4 tttp -55.3 -48.23 74.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.867 175.761 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.584 ' O ' HG23 ' A' ' 21' ' ' VAL . 62.8 mt -62.05 -45.63 98.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.989 178.351 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.552 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 95.7 mt -57.78 -40.55 80.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.953 179.537 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp -63.33 -37.56 87.76 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.763 0.316 . . . . 0.0 111.238 178.371 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -73.24 -34.97 66.17 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.229 177.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 17' ' ' ILE . 89.7 t -62.86 -42.23 95.63 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.312 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.438 175.174 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 18' ' ' LEU . 93.4 mt -55.68 -40.17 71.95 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.712 0.291 . . . . 0.0 111.536 -179.506 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -68.35 -42.53 79.13 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.347 0.594 . . . . 0.0 110.351 179.008 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.864 ' HD3' ' HB3' ' A' ' 32' ' ' GLU . 98.4 mttt -83.54 -18.17 39.31 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.362 -0.835 . . . . 0.0 112.076 -173.289 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.31 -31.36 70.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.007 0.432 . . . . 0.0 110.25 175.13 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -69.59 -29.42 66.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.194 175.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -81.13 -35.5 31.48 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.279 -179.011 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.92 38.5 56.02 Favored Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.605 176.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -97.21 122.89 40.74 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.551 0.215 . . . . 0.0 110.448 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -64.92 -41.41 95.58 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.767 -176.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -63.66 -42.32 98.1 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.073 0.463 . . . . 0.0 110.389 -173.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.864 ' HB3' ' HD3' ' A' ' 24' ' ' LYS . 77.1 mm-40 -71.15 -46.56 61.23 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.473 176.522 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 17.3 mt -60.71 -45.63 93.49 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.995 -178.091 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.7 -45.13 91.41 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.566 0.222 . . . . 0.0 111.023 -178.023 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 21.4 ttm180 -59.5 -44.33 93.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.092 0.472 . . . . 0.0 110.344 178.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.732 HD11 ' HD2' ' A' ' 24' ' ' LYS . 81.6 mt -67.13 -45.19 77.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.907 179.568 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -58.87 -42.98 90.74 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.23 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -64.05 -42.07 97.17 Favored 'General case' 0 N--CA 1.441 -0.891 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.722 176.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.895 ' HA ' ' HE3' ' A' ' 42' ' ' LYS . 6.3 tp10 -60.55 -42.42 96.52 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.355 -179.723 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.533 HG13 ' O ' ' A' ' 36' ' ' LEU . 75.4 mt -58.44 -49.64 81.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.324 177.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 91.9 t -56.9 -44.67 82.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.944 178.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.895 ' HE3' ' HA ' ' A' ' 39' ' ' GLU . 33.6 mtmt -60.99 -47.24 87.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.264 178.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.17 -46.96 72.4 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.705 -176.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.476 ' O ' HG23 ' A' ' 48' ' ' VAL . 48.2 mt-10 -67.41 -40.78 85.57 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.219 -176.652 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.49 ' HE2' HG21 ' A' ' 78' ' ' ILE . 61.1 mttm -66.5 -32.08 73.22 Favored 'General case' 0 CA--C 1.52 -0.183 0 C-N-CA 120.752 -0.379 . . . . 0.0 111.128 179.016 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.421 ' O ' HG23 ' A' ' 50' ' ' VAL . 24.1 tm0? -61.06 -46.07 92.17 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 175.409 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -65.1 -47.17 84.56 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.852 -0.69 . . . . 0.0 111.988 178.206 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 44' ' ' GLU . 91.2 t -57.65 -41.5 79.42 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-O 120.765 0.317 . . . . 0.0 110.942 179.276 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -61.04 -43.52 98.77 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.682 -179.074 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.456 HG11 HD21 ' A' ' 7' ' ' LEU . 47.0 t -70.25 -41.22 78.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.724 178.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -60.64 -41.91 95.89 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.696 0.284 . . . . 0.0 110.535 177.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.567 ' HG2' HD11 ' A' ' 71' ' ' LEU . 6.7 tmtt? -60.58 -39.98 90.03 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.137 0.494 . . . . 0.0 110.507 176.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -67.22 -45.65 76.19 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.351 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.61 -32.94 68.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.997 -177.642 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.425 ' O ' ' HD2' ' A' ' 64' ' ' ARG . . . -62.82 -38.11 89.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.595 0.236 . . . . 0.0 111.626 -177.58 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -71.4 -23.03 61.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.132 0.491 . . . . 0.0 110.845 177.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -106.2 37.61 2.24 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.944 177.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.97 139.25 52.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.351 -0.84 . . . . 0.0 112.068 -177.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 79.4 mtt180 -102.15 -22.78 14.14 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.036 179.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -152.66 125.73 4.13 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.635 -178.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -50.18 -47.89 22.13 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 123.074 2.516 . . . . 0.0 112.906 178.158 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -61.03 -38.28 85.56 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.005 0.431 . . . . 0.0 110.955 179.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.834 ' HE3' ' HA ' ' A' ' 63' ' ' LYS . 0.7 OUTLIER -68.15 -42.23 80.41 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.298 179.104 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.425 ' HD2' ' O ' ' A' ' 55' ' ' ALA . 9.0 ttp180 -69.71 -29.52 66.94 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.661 -179.079 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.25 -42.35 86.21 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.118 0.485 . . . . 0.0 110.015 176.476 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 98.2 t -61.0 -47.4 93.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.514 175.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 75.4 mt -65.08 -45.95 92.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.988 -179.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -57.05 -45.52 83.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.661 -177.231 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.1 ttpm? -63.44 -43.8 96.37 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.808 -179.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 55.7 mt -70.17 -38.19 73.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.954 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.567 HD11 ' HG2' ' A' ' 52' ' ' LYS . 7.0 tt -57.92 -49.42 76.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.123 177.314 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -65.98 -38.81 89.49 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.609 179.117 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.402 ' O ' ' HB3' ' A' ' 76' ' ' LYS . 8.2 t70 -61.51 -49.24 77.54 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.71 178.728 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.428 ' O ' HG13 ' A' ' 78' ' ' ILE . 2.4 tp10 -65.62 -41.48 92.65 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.017 -0.992 . . . . 0.0 111.042 -172.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.47 -34.69 77.34 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 121.167 0.508 . . . . 0.0 110.007 174.277 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.902 ' HE3' ' HA ' ' A' ' 76' ' ' LYS . 0.6 OUTLIER -61.86 -36.67 81.92 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.486 179.857 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 51.5 m170 -64.96 -48.3 74.56 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.294 0.568 . . . . 0.0 110.485 177.116 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.49 HG21 ' HE2' ' A' ' 45' ' ' LYS . 52.3 mt -60.69 -38.42 78.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 114.922 -1.035 . . . . 0.0 111.007 -175.632 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -59.08 -39.55 82.47 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.665 -0.243 . . . . 0.0 110.681 176.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 21.3 t-105 -63.46 -50.88 67.99 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 177.012 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -62.59 -30.97 71.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.588 -179.63 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp -66.62 -46.76 74.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.858 0.361 . . . . 0.0 110.903 173.265 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.47 -29.96 66.66 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.331 -179.172 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.34 179.74 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.417 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.49 -37.63 77.3 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.716 0.293 . . . . 0.0 111.496 -175.033 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -64.5 -49.78 70.0 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.22 0.533 . . . . 0.0 109.996 177.322 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -60.88 -42.34 97.75 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.305 -0.862 . . . . 0.0 110.835 179.636 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.27 -21.33 66.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.506 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 27.2 m -83.58 -47.48 11.24 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.824 0.345 . . . . 0.0 110.514 178.02 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 10.4 mp -70.81 -31.8 68.66 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.659 -178.429 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 7.5 p -61.87 -33.74 59.39 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 CA-C-O 120.651 0.263 . . . . 0.0 110.781 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -59.96 -33.55 72.09 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.706 0.289 . . . . 0.0 110.959 177.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -66.8 -35.7 80.68 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.022 176.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -65.74 -42.39 91.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.45 178.357 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.55 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 3.9 mm? -58.17 -48.7 79.49 Favored 'General case' 0 N--CA 1.461 0.125 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.55 178.139 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -67.3 -38.7 85.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.059 -179.356 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -64.42 -49.0 73.25 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.712 -175.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -63.63 -29.77 70.97 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.539 0.209 . . . . 0.0 111.348 -176.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.55 ' HG3' ' O ' ' A' ' 101' ' ' LEU . 77.5 mt-30 -61.81 -40.06 93.93 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 177.623 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.59 ' HA ' ' HG2' ' A' ' 109' ' ' GLU . 1.1 mtp180 -65.68 -32.38 73.91 Favored 'General case' 0 C--O 1.224 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.961 176.637 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.462 ' O ' HG12 ' A' ' 111' ' ' ILE . 22.7 m170 -63.44 -39.34 94.23 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.318 179.165 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.558 HG13 HD11 ' A' ' 8' ' ' LEU . 59.0 t -67.64 -50.93 56.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.287 178.393 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.59 ' HG2' ' HA ' ' A' ' 106' ' ' ARG . 12.7 pt-20 -66.97 -32.2 73.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.122 -177.542 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.475 ' HB2' ' O ' ' A' ' 106' ' ' ARG . 4.0 tp10 -58.98 -36.47 74.91 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 176.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.462 HG12 ' O ' ' A' ' 107' ' ' HIS . 48.9 mm -74.45 -61.78 1.57 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.418 178.228 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.448 -0.557 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 179.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.8 tpt . . . . . 0 N--CA 1.48 1.071 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -155.6 135.33 12.66 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.96 -172.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.485 ' HB2' ' NZ ' ' A' ' 63' ' ' LYS . 4.1 mp0 48.47 72.98 0.24 Allowed 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.386 -0.825 . . . . 0.0 111.218 -178.404 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 29.8 tp -133.29 -69.67 0.55 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.252 -178.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -65.66 -35.16 79.99 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.423 0.63 . . . . 0.0 109.593 174.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.469 ' H ' ' CD ' ' A' ' 6' ' ' GLU . 28.0 mp0 -59.0 -47.04 86.64 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.841 -179.514 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 95.9 mt -72.45 -33.78 67.29 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.149 -178.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 48.7 mt -60.71 -30.05 69.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.877 177.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -58.02 -34.99 70.64 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.764 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.85 -46.6 71.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.579 178.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -65.39 -44.59 87.06 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.69 179.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -57.81 -42.33 84.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.042 179.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -65.26 -46.47 80.36 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.659 179.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.508 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -59.7 -46.53 93.86 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.877 -0.677 . . . . 0.0 112.237 178.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.498 ' O ' ' HG2' ' A' ' 19' ' ' LYS . 76.3 mt -62.65 -40.72 89.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.633 0.254 . . . . 0.0 111.107 179.227 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -61.98 -40.78 96.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.765 0.317 . . . . 0.0 110.639 -178.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.476 ' O ' HG23 ' A' ' 21' ' ' VAL . 64.3 mt -65.98 -40.07 86.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.351 176.633 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 91.5 mt -57.56 -36.11 71.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.318 178.525 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.498 ' HG2' ' O ' ' A' ' 15' ' ' ILE . 30.7 mmmt -56.5 -45.36 81.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.092 0.472 . . . . 0.0 110.348 177.554 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.46 ' HA ' ' OE1' ' A' ' 20' ' ' GLU . 9.4 mm-40 -72.45 -33.64 67.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.594 179.54 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.547 HG21 HD11 ' A' ' 40' ' ' ILE . 76.4 t -59.53 -39.24 78.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.397 176.186 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 90.9 mt -60.54 -39.48 88.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.713 175.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.402 ' HE2' ' HB3' ' A' ' 23' ' ' LYS . 1.9 mmmm -65.62 -48.24 72.93 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.668 178.67 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.47 ' HG2' ' HB3' ' A' ' 32' ' ' GLU . 5.5 mptp? -74.54 -25.19 59.16 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.817 -175.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.84 -42.17 99.64 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.959 0.409 . . . . 0.0 110.077 175.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -72.64 -35.12 67.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.853 176.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -61.12 -48.49 81.42 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.561 175.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.66 58.81 4.35 Favored Glycine 0 N--CA 1.448 -0.514 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.726 176.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -127.07 133.91 50.37 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 110.329 -0.249 . . . . 0.0 110.329 176.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -62.96 -44.16 96.82 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.542 -175.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.458 ' NE2' ' H ' ' A' ' 31' ' ' GLN . 2.3 mp0 -63.46 -47.78 80.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.646 0.26 . . . . 0.0 110.692 -177.269 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.47 ' HB3' ' HG2' ' A' ' 24' ' ' LYS . 37.8 mm-40 -62.15 -44.92 95.56 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.157 177.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 33' ' ' LEU . 17.9 mt -65.19 -45.8 83.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.156 -177.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.85 -44.12 86.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.817 0.342 . . . . 0.0 110.708 -179.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.446 ' O ' ' HG2' ' A' ' 39' ' ' GLU . 61.9 ttt180 -59.62 -44.11 93.55 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.451 178.323 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.483 ' O ' HG13 ' A' ' 40' ' ' ILE . 28.6 mt -68.39 -40.23 81.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.087 178.093 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.468 ' O ' HG23 ' A' ' 41' ' ' VAL . 26.5 t-20 -56.26 -44.84 80.11 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 174.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 1.065 HE21 ' HA ' ' A' ' 38' ' ' GLN . 0.0 OUTLIER -62.49 -40.84 98.0 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.464 177.804 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' A' ' 35' ' ' ARG . 64.7 mm-40 -63.1 -41.94 99.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.879 177.158 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.547 HD11 HG21 ' A' ' 21' ' ' VAL . 85.3 mt -59.81 -50.01 81.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 179.41 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 37' ' ' ASN . 89.8 t -53.73 -50.57 50.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.979 -179.134 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt -63.54 -44.07 95.26 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.53 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.92 -47.28 72.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.875 -175.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -64.86 -40.0 94.44 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.592 -177.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.477 ' HG3' HD13 ' A' ' 78' ' ' ILE . 67.1 mttm -69.89 -32.27 70.51 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.521 179.102 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 50.5 tp60 -62.17 -37.09 83.94 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 172.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.597 ' O ' ' HD1' ' A' ' 51' ' ' TYR . . . -62.05 -47.24 91.25 Favored Glycine 0 N--CA 1.448 -0.528 0 CA-C-N 115.039 -0.982 . . . . 0.0 111.543 172.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 79.4 t -55.91 -38.65 53.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.794 0.33 . . . . 0.0 110.406 176.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.5 tptm -61.73 -49.75 75.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.56 -179.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 8.6 m -68.5 -37.55 77.92 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.081 0 C-N-CA 120.845 -0.342 . . . . 0.0 111.305 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.597 ' HD1' ' O ' ' A' ' 47' ' ' GLY . 36.9 m-85 -65.82 -49.11 69.39 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 121.032 -0.267 . . . . 0.0 110.788 178.351 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -60.79 -39.39 88.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.116 0.484 . . . . 0.0 110.797 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -64.79 -41.97 95.41 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.585 179.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.422 ' CB ' ' HG2' ' A' ' 3' ' ' GLU . . . -72.06 -32.83 67.44 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.458 179.12 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.43 -39.47 83.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.484 -179.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -82.82 15.09 2.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.059 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.1 ttpp -142.61 33.77 1.44 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.57 0.7 . . . . 0.0 109.236 176.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -88.21 111.0 21.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.183 -178.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -60.43 -35.04 74.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.176 179.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.407 ' OD1' ' HD2' ' A' ' 61' ' ' PRO . 31.4 t30 -124.11 129.21 24.82 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.612 -178.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.407 ' HD2' ' OD1' ' A' ' 60' ' ' ASN . 94.7 Cg_exo -46.15 -34.3 13.14 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 123.503 2.802 . . . . 0.0 113.531 177.291 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -63.98 -32.79 74.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.877 0.37 . . . . 0.0 110.872 178.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.485 ' NZ ' ' HB2' ' A' ' 3' ' ' GLU . 1.4 tmtp? -69.51 -38.02 77.42 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 178.447 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 17.6 ttm-85 -69.47 -40.34 77.16 Favored 'General case' 0 C--O 1.223 -0.319 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.061 175.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -55.77 -45.52 78.11 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 123.182 0.593 . . . . 0.0 111.647 -178.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 92.7 t -65.69 -46.38 89.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.997 0.427 . . . . 0.0 110.316 178.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.458 HD11 ' HE2' ' A' ' 63' ' ' LYS . 52.0 mt -60.34 -48.11 89.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.473 178.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -60.86 -41.2 95.44 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.125 -176.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.459 ' C ' ' HD3' ' A' ' 69' ' ' LYS . 14.1 tmtt? -63.03 -46.42 87.66 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.663 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 17.7 mt -71.63 -37.15 62.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.163 179.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.6 tt -55.5 -47.55 76.02 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 176.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -65.2 -40.76 94.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.129 177.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.442 ' O ' ' HB2' ' A' ' 76' ' ' LYS . 0.4 OUTLIER -60.96 -49.24 78.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.101 -178.841 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.7 -39.55 94.37 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.208 -173.157 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -67.2 -36.45 81.76 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.936 174.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.442 ' HB2' ' O ' ' A' ' 73' ' ' ASP . 25.4 mmmt -58.56 -38.47 77.92 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.86 178.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.579 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 55.1 m170 -61.93 -48.06 82.1 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.299 179.063 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.477 HD13 ' HG3' ' A' ' 45' ' ' LYS . 45.8 mt -61.99 -43.1 97.13 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.297 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.748 -178.311 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -56.91 -37.26 71.19 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.174 179.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 33.1 t-105 -67.7 -52.95 31.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.642 177.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -61.98 -32.11 72.54 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.764 -179.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.404 ' HZ3' ' HB3' ' A' ' 82' ' ' LYS . 5.8 ttpm? -71.39 -39.76 70.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.952 0.406 . . . . 0.0 110.676 178.64 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.52 -24.42 67.12 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.853 -176.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.98 -55.18 37.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.698 178.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 39.5 m 58.68 20.74 8.07 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.804 178.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt 61.04 90.29 0.07 Allowed 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 123.158 0.583 . . . . 0.0 111.776 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.478 ' HB2' ' H ' ' A' ' 88' ' ' GLY . 68.6 mt-30 -95.75 -78.45 0.46 Allowed 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 171.349 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.478 ' H ' ' HB2' ' A' ' 87' ' ' GLN . . . -146.95 41.1 0.98 Allowed Glycine 0 N--CA 1.444 -0.813 0 N-CA-C 108.885 -1.686 . . . . 0.0 108.885 171.153 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.487 ' HB3' ' HB2' ' A' ' 93' ' ' PHE . 14.6 m120 -74.78 97.5 3.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.452 -0.874 . . . . 0.0 111.628 -170.491 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -136.43 -70.25 0.47 Allowed 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 172.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -68.51 -44.4 74.75 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.578 176.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -63.95 -36.1 82.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.165 176.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.621 ' O ' HG23 ' A' ' 97' ' ' VAL . 39.3 t80 -66.78 -49.14 66.84 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.65 -174.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.44 -39.51 76.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.477 -178.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 11.1 t -60.92 -42.9 99.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.498 179.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.431 HD13 ' HA ' ' A' ' 96' ' ' LEU . 4.1 mm? -72.68 -32.49 65.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.813 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 93' ' ' PHE . 93.8 t -61.8 -35.04 65.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.591 0.234 . . . . 0.0 110.578 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -56.08 -37.2 69.01 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.505 178.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -69.94 -42.39 73.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.643 -179.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.579 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 4.5 t-160 -63.53 -43.61 96.63 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 178.402 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 48.6 tp -63.16 -48.65 77.52 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.224 -178.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -64.03 -35.57 81.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.072 0.463 . . . . 0.0 110.586 178.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -65.27 -49.1 70.85 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.925 -179.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.424 ' O ' ' HB2' ' A' ' 107' ' ' HIS . 14.2 mm-40 -66.06 -32.62 74.19 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.929 0.395 . . . . 0.0 110.43 -178.593 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -65.76 -33.26 75.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.191 -0.458 . . . . 0.0 109.965 174.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 57.7 ttt-85 -69.88 -35.0 74.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.526 175.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.432 ' CE1' ' HB3' ' A' ' 73' ' ' ASP . 21.5 m170 -59.0 -40.13 83.94 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.836 175.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 57.3 t -61.75 -41.06 89.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.198 176.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -67.62 -36.85 81.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.933 177.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -64.28 -29.87 70.95 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.64 177.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 42.3 mm -87.16 -65.0 0.98 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.442 177.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -81.71 -34.05 30.79 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.446 0.536 . . . . 0.0 112.446 -171.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 97.9 mttt 70.34 -64.59 0.36 Allowed 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.3 0.64 . . . . 0.0 110.485 -172.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -121.67 100.12 6.83 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.112 0.482 . . . . 0.0 109.748 171.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.703 -0.665 . . . . 0.0 110.147 -179.352 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.7 ptp . . . . . 0 N--CA 1.484 1.245 0 CA-C-O 120.967 0.413 . . . . 0.0 110.366 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -84.04 -76.31 0.3 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.503 -172.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -79.3 13.48 1.89 Allowed 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -174.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.552 HD23 HG23 ' A' ' 111' ' ' ILE . 7.7 mp -87.5 8.5 24.61 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.641 0.258 . . . . 0.0 111.236 -175.16 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -68.01 -41.44 82.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.29 -178.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -62.04 -36.04 80.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.254 0.55 . . . . 0.0 110.363 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.488 HD13 ' HA ' ' A' ' 4' ' ' LEU . 6.5 mp -70.32 -42.07 72.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.296 -0.866 . . . . 0.0 110.341 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 77.3 mt -61.79 -45.53 93.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.304 179.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 58.9 tttm -61.99 -34.61 76.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.685 -176.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.41 -46.83 78.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.743 178.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -64.03 -43.3 95.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.665 178.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -64.09 -36.27 83.47 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.955 179.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 53.4 tp60 -66.74 -44.48 81.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.333 179.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.621 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -58.93 -46.58 93.43 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.824 -0.703 . . . . 0.0 111.504 176.524 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.481 HG23 ' CD1' ' A' ' 101' ' ' LEU . 67.7 mt -58.4 -42.68 84.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.844 0.354 . . . . 0.0 110.806 176.53 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -60.92 -41.04 95.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.807 -179.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.52 ' O ' HG23 ' A' ' 21' ' ' VAL . 69.4 mt -68.32 -43.15 84.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.477 176.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.621 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 95.4 mt -57.3 -37.32 72.28 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.45 -178.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.436 ' HG3' ' O ' ' A' ' 15' ' ' ILE . 9.7 mtpm? -57.47 -45.11 85.19 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-O 120.99 0.424 . . . . 0.0 111.258 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -73.71 -32.15 63.76 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.396 -179.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.621 HG21 HD11 ' A' ' 40' ' ' ILE . 60.3 t -60.87 -37.66 77.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.701 -0.227 . . . . 0.0 110.395 174.42 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 92.4 mt -56.78 -40.28 75.6 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.739 0.304 . . . . 0.0 110.716 175.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 29.8 mmtp -57.26 -46.97 82.56 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.478 0.656 . . . . 0.0 110.139 176.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.551 ' HD2' ' HG2' ' A' ' 32' ' ' GLU . 70.3 mmtt -79.75 -20.69 45.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.937 -1.029 . . . . 0.0 111.879 -173.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.441 ' HB1' ' HB2' ' A' ' 94' ' ' ALA . . . -71.0 -31.89 68.55 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.122 0.487 . . . . 0.0 109.908 174.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -68.09 -42.36 80.47 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.232 174.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -66.53 -48.74 68.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.594 178.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.54 55.22 2.91 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.885 176.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.518 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 28.3 t70 -115.72 114.3 24.64 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 173.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -66.55 -30.56 70.9 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.346 -173.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -65.25 -48.95 71.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.142 0.496 . . . . 0.0 110.113 178.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.551 ' HG2' ' HD2' ' A' ' 24' ' ' LYS . 8.0 tp10 -63.0 -45.49 92.15 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.976 177.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 76.9 mt -59.58 -38.19 80.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.225 179.671 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.519 ' O ' ' HG2' ' A' ' 38' ' ' GLN . . . -65.27 -45.79 83.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.983 179.58 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.4 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 57.2 ttp85 -61.59 -46.37 90.13 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.731 177.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.555 ' HB3' HG22 ' A' ' 21' ' ' VAL . 95.4 mt -59.92 -45.2 93.34 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.377 177.556 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.498 ' O ' HG23 ' A' ' 41' ' ' VAL . 66.7 t30 -56.29 -44.11 79.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.925 177.198 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.519 ' HG2' ' O ' ' A' ' 34' ' ' ALA . 14.2 mm100 -57.69 -41.88 82.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.054 178.457 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -67.6 -41.97 83.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.557 179.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.621 HD11 HG21 ' A' ' 21' ' ' VAL . 83.1 mt -58.64 -49.85 81.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.72 178.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.503 HG13 HG23 ' A' ' 78' ' ' ILE . 98.3 t -55.04 -48.51 75.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.454 -177.344 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -64.04 -38.0 89.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.692 0.282 . . . . 0.0 111.47 -179.003 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.58 -47.18 67.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.649 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.464 ' O ' HG23 ' A' ' 48' ' ' VAL . 8.4 mm-40 -60.7 -38.42 84.95 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.871 178.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.493 ' HE2' HG12 ' A' ' 41' ' ' VAL . 66.3 mttm -59.0 -38.84 80.14 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.922 0.392 . . . . 0.0 110.83 177.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 46.0 tp60 -67.03 -39.23 86.95 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.742 -178.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.14 -44.96 94.96 Favored Glycine 0 N--CA 1.45 -0.392 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.768 176.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.488 HG22 ' HB3' ' A' ' 74' ' ' GLU . 99.3 t -57.56 -40.07 72.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.894 0.378 . . . . 0.0 110.751 177.745 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -65.37 -49.49 69.13 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.118 -179.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 33.1 m -69.71 -31.06 47.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 C-N-CA 121.122 -0.231 . . . . 0.0 111.424 -177.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.408 ' CE2' HD23 ' A' ' 7' ' ' LEU . 9.2 m-85 -71.05 -37.86 72.53 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 121.185 -0.206 . . . . 0.0 110.984 176.693 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.3 mmtp -67.87 -38.56 83.23 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.393 177.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -62.61 -37.42 86.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.246 0.546 . . . . 0.0 109.663 175.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.584 ' HA ' ' HB3' ' A' ' 57' ' ' LYS . . . -68.43 -32.58 72.71 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.129 177.08 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.9 -39.73 94.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.797 0.332 . . . . 0.0 111.177 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -86.37 -7.11 58.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.459 0.647 . . . . 0.0 110.361 178.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.584 ' HB3' ' HA ' ' A' ' 54' ' ' ALA . 31.5 tptt -87.86 -20.81 25.51 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.007 -0.997 . . . . 0.0 109.863 174.49 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.26 137.9 57.8 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.412 -178.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.2 ttt180 -94.42 -24.92 17.14 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.818 -175.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.544 ' HB2' ' HG2' ' A' ' 63' ' ' LYS . 15.6 m120 -130.32 146.01 59.8 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.488 -175.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -54.76 -39.08 91.25 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.924 2.416 . . . . 0.0 112.398 176.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -59.18 -38.9 80.94 Favored 'General case' 0 N--CA 1.461 0.124 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.581 178.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.544 ' HG2' ' HB2' ' A' ' 60' ' ' ASN . 71.9 mmtt -75.16 -32.95 61.44 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.067 -179.118 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 32.9 ttt180 -62.26 -40.16 95.29 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.186 176.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -55.68 -44.41 77.31 Favored 'General case' 0 N--CA 1.455 -0.217 0 O-C-N 123.286 0.366 . . . . 0.0 111.226 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.9 t -62.56 -48.39 88.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.835 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 63.7 mt -69.46 -42.85 81.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.826 -178.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -59.97 -38.31 82.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.195 -178.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -59.63 -47.75 84.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.06 0.457 . . . . 0.0 110.756 -178.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.484 HG23 ' ND1' ' A' ' 107' ' ' HIS . 26.2 mt -73.62 -38.59 52.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.965 178.415 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -56.34 -48.19 77.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.892 0.377 . . . . 0.0 110.376 178.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.98 -41.99 94.95 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.156 179.484 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.465 ' O ' ' HB3' ' A' ' 76' ' ' LYS . 1.3 t70 -69.33 -37.37 77.67 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.915 -176.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.488 ' HB3' HG22 ' A' ' 48' ' ' VAL . 2.7 tp10 -68.25 -35.42 77.88 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.143 -176.497 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -65.8 -43.26 89.24 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 171.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.465 ' HB3' ' O ' ' A' ' 73' ' ' ASP . 33.7 ttmt -57.47 -39.44 76.39 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.031 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 63.2 m170 -59.34 -47.75 84.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.062 0.458 . . . . 0.0 110.534 177.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.503 HG23 HG13 ' A' ' 41' ' ' VAL . 61.1 mt -61.48 -48.54 88.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.556 -179.081 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -59.41 -36.95 76.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.373 178.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 15.0 t-105 -65.41 -52.29 54.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.582 179.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 25.4 m-70 -60.58 -35.69 76.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.913 177.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.78 -35.83 80.99 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 179.057 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.63 -20.65 65.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.597 -179.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.19 -10.83 60.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.681 -179.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 49.5 m -54.7 139.15 39.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.381 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 97.1 mttt 75.11 -27.09 0.19 Allowed 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.54 0.736 . . . . 0.0 112.485 175.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -68.33 -54.61 16.21 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 176.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 75.3 -106.88 2.18 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.871 -0.68 . . . . 0.0 112.038 178.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 17.4 m120 66.71 -176.82 0.2 Allowed 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 122.725 0.41 . . . . 0.0 110.966 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -141.07 -59.75 0.5 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.117 0.484 . . . . 0.0 110.289 178.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.51 ' H ' ' CD ' ' A' ' 91' ' ' GLU . 0.0 OUTLIER -62.11 -41.31 98.1 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.643 178.113 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.489 ' O ' ' HG ' ' A' ' 96' ' ' LEU . 50.7 mt-30 -68.1 -46.1 71.89 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.642 177.561 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.484 ' CE2' HD22 ' A' ' 33' ' ' LEU . 75.9 t80 -63.41 -38.24 90.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.751 -179.406 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.441 ' HB2' ' HB1' ' A' ' 25' ' ' ALA . . . -57.71 -39.92 78.32 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.126 178.142 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.536 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 32.7 t -68.2 -38.05 81.57 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.34 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' A' ' 92' ' ' GLN . 65.5 mt -62.06 -43.03 99.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.81 -177.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 93' ' ' PHE . 38.9 t -64.22 -36.56 77.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.519 179.208 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.516 HE21 ' HA ' ' A' ' 95' ' ' SER . 50.4 mt-30 -65.37 -35.1 79.92 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.536 ' HG2' ' O ' ' A' ' 95' ' ' SER . 55.4 mm-40 -69.27 -42.36 75.66 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 178.373 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -64.16 -45.11 89.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.029 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.481 ' CD1' HG23 ' A' ' 15' ' ' ILE . 42.7 tp -59.82 -49.5 77.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.236 -178.763 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.685 ' HB3' HH21 ' A' ' 106' ' ' ARG . 7.6 mm-40 -64.92 -34.83 79.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.352 0.596 . . . . 0.0 110.711 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -66.08 -49.39 67.75 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.331 -0.849 . . . . 0.0 111.218 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -67.34 -30.91 70.86 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.512 0.196 . . . . 0.0 110.8 -177.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.484 ' O ' ' HG3' ' A' ' 109' ' ' GLU . 54.8 mt-30 -61.27 -40.65 94.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.015 0.436 . . . . 0.0 110.171 175.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.685 HH21 ' HB3' ' A' ' 102' ' ' GLN . 21.3 mtm180 -72.12 -31.58 66.14 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.988 175.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.484 ' ND1' HG23 ' A' ' 70' ' ' ILE . 13.0 m170 -58.31 -46.84 85.39 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 174.071 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 69.0 t -66.6 -37.77 80.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.127 178.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.566 ' HG2' ' HA ' ' A' ' 114' ' ' LYS . 32.4 mt-10 -59.81 -45.99 90.61 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -178.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -65.48 -29.92 70.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.741 0.305 . . . . 0.0 111.012 -178.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.552 HG23 HD23 ' A' ' 4' ' ' LEU . 48.9 mm -76.93 -58.67 4.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.873 177.442 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -106.12 -102.22 0.34 Allowed 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -176.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 55.9 mttp -132.26 -87.48 0.45 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.656 -172.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.566 ' HA ' ' HG2' ' A' ' 109' ' ' GLU . 31.6 mmmt -141.97 175.04 10.04 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 -179.4 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.612 HD22 ' N ' ' A' ' 115' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--O 1.244 0.79 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 176.21 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.482 1.152 0 CA-C-O 120.464 0.173 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -99.98 17.54 20.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.843 0.354 . . . . 0.0 111.138 -173.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.32 169.71 18.86 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.957 -174.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.64 ' O ' ' HG ' ' A' ' 8' ' ' LEU . 75.9 mt -82.06 55.99 2.99 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.085 0.469 . . . . 0.0 109.844 178.196 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 57.4 ttt180 -58.11 -45.33 87.43 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.441 -0.8 . . . . 0.0 112.192 -170.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -70.97 -35.02 71.97 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -177.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.461 HD12 ' HB3' ' A' ' 4' ' ' LEU . 56.3 mt -66.53 -30.92 71.35 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.001 0.429 . . . . 0.0 110.525 -178.108 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.64 ' HG ' ' O ' ' A' ' 4' ' ' LEU . 44.8 mt -62.58 -30.13 71.1 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.427 -178.588 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -60.18 -34.61 73.83 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.359 -174.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.87 -46.63 65.1 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.681 -175.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -64.6 -38.27 90.44 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 178.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 76.6 mm-40 -64.24 -42.36 96.57 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.194 176.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.447 ' O ' HG13 ' A' ' 17' ' ' ILE . 58.2 tp60 -60.89 -44.99 96.35 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.86 179.29 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.612 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -58.26 -46.48 92.81 Favored Glycine 0 N--CA 1.453 -0.193 0 C-N-CA 120.619 -0.801 . . . . 0.0 111.894 178.368 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.417 ' HA ' HD12 ' A' ' 18' ' ' LEU . 75.1 mt -61.34 -38.85 80.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.016 0.436 . . . . 0.0 110.946 177.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.1 tttp -62.77 -42.1 99.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.729 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 13' ' ' GLN . 62.9 mt -67.42 -37.93 79.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.328 178.158 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.612 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 95.6 mt -57.49 -39.12 75.74 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.799 179.3 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -58.59 -45.42 89.14 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 120.933 0.397 . . . . 0.0 110.892 178.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -65.32 -41.67 93.74 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.542 -178.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.575 HG21 HD11 ' A' ' 40' ' ' ILE . 91.1 t -62.81 -39.61 85.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.147 -179.24 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.603 HD11 HD22 ' A' ' 101' ' ' LEU . 92.4 mt -55.39 -45.8 76.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.823 0.344 . . . . 0.0 110.997 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -66.76 -48.11 70.09 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.769 179.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.852 ' HE2' ' HA ' ' A' ' 24' ' ' LYS . 8.3 mmpt? -69.71 -38.03 76.79 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.319 -173.455 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.532 ' HA ' HD11 ' A' ' 33' ' ' LEU . . . -71.54 -35.32 70.61 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.748 0.309 . . . . 0.0 111.036 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.46 ' HE3' ' HB3' ' A' ' 26' ' ' LYS . 0.8 OUTLIER -71.82 -37.24 70.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.336 177.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -71.69 -46.44 58.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.033 177.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 117.92 29.01 2.1 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.399 -0.905 . . . . 0.0 113.194 177.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.469 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 4.2 m-20 -81.49 68.61 7.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.207 0.527 . . . . 0.0 110.058 174.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.519 ' HA ' HD12 ' A' ' 33' ' ' LEU . 30.7 mt-10 -63.04 -35.64 80.89 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.655 -174.321 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 56.8 tp60 -67.38 -38.13 84.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.132 0.492 . . . . 0.0 110.639 179.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -71.54 -36.31 70.95 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.072 177.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.532 HD11 ' HA ' ' A' ' 25' ' ' ALA . 48.0 mt -55.7 -35.46 66.09 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 115.608 -0.723 . . . . 0.0 111.79 -178.61 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.68 -43.08 94.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.898 0.38 . . . . 0.0 110.867 178.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -69.44 -49.09 58.31 Favored 'General case' 0 N--CA 1.442 -0.864 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.116 177.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.533 ' O ' HG13 ' A' ' 40' ' ' ILE . 98.6 mt -59.39 -44.59 92.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.266 -175.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.546 HD22 ' HA ' ' A' ' 85' ' ' SER . 61.9 t30 -58.91 -46.28 88.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.879 -178.688 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -58.91 -44.46 91.24 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.405 -179.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -67.56 -31.39 71.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.54 -176.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.575 HD11 HG21 ' A' ' 21' ' ' VAL . 75.2 mt -58.39 -49.89 80.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.981 0.42 . . . . 0.0 110.128 175.221 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.681 HG13 HG23 ' A' ' 78' ' ' ILE . 61.9 t -58.15 -45.68 88.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.948 -179.332 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -63.56 -44.88 92.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.471 -179.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.52 -47.06 65.02 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -175.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -64.85 -45.05 87.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.684 0.278 . . . . 0.0 111.05 -177.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.498 ' O ' HG12 ' A' ' 48' ' ' VAL . 56.9 tttt -69.87 -30.41 67.86 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.945 -176.339 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 46.4 tp60 -60.79 -45.38 94.59 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 173.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -69.27 -43.24 71.79 Favored Glycine 0 N--CA 1.448 -0.513 0 CA-C-N 115.4 -0.818 . . . . 0.0 113.043 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.498 HG12 ' O ' ' A' ' 45' ' ' LYS . 2.2 p -59.97 -37.1 70.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.119 0.485 . . . . 0.0 109.882 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.762 ' HA ' ' HE3' ' A' ' 49' ' ' LYS . 0.4 OUTLIER -59.56 -50.25 74.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.652 178.618 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.413 ' HB ' HD22 ' A' ' 7' ' ' LEU . 2.9 m -69.57 -32.45 52.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.825 -0.35 . . . . 0.0 111.518 -179.408 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.536 ' HB3' HD21 ' A' ' 71' ' ' LEU . 21.8 m-85 -65.27 -38.75 91.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.822 0.344 . . . . 0.0 110.287 173.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.617 ' HG3' HD22 ' A' ' 71' ' ' LEU . 95.2 mttt -66.97 -33.27 75.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.331 179.01 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -67.78 -42.63 81.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.142 0.496 . . . . 0.0 109.788 174.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.36 -32.85 74.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.832 178.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.24 -32.73 73.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.197 178.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -75.85 -15.77 60.17 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.074 0.464 . . . . 0.0 110.375 178.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' A' ' 57' ' ' LYS . 49.0 tttm -112.77 17.69 18.84 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.706 0.765 . . . . 0.0 109.394 -178.297 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.449 ' O ' ' HB2' ' A' ' 59' ' ' ARG . . . -73.98 -26.73 60.62 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.742 -174.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.449 ' HB2' ' O ' ' A' ' 58' ' ' ALA . 24.0 mmt180 70.4 -62.2 0.44 Allowed 'General case' 0 N--CA 1.469 0.496 0 O-C-N 123.745 0.653 . . . . 0.0 111.219 -178.484 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.416 ' OD1' ' HB2' ' A' ' 62' ' ' GLU . 28.2 t-20 -91.09 125.2 59.42 Favored Pre-proline 0 C--N 1.32 -0.693 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.353 -179.225 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_endo -59.91 -33.17 95.94 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 123.325 2.683 . . . . 0.0 113.079 -175.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.416 ' HB2' ' OD1' ' A' ' 60' ' ' ASN . 43.1 mt-10 -67.79 -30.47 69.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.726 -0.215 . . . . 0.0 111.223 -177.483 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt -75.0 -34.27 61.94 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 176.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 23.1 ttt180 -69.01 -34.63 75.58 Favored 'General case' 0 C--O 1.22 -0.492 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.874 175.104 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -55.67 -44.12 76.98 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 120.905 0.383 . . . . 0.0 111.046 177.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.755 HG13 ' HG3' ' A' ' 110' ' ' GLU . 97.1 t -60.91 -52.09 65.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.768 178.144 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.58 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 55.8 mt -66.07 -44.4 91.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.045 -178.083 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.456 ' HA ' HD12 ' A' ' 71' ' ' LEU . 31.7 t70 -59.73 -36.92 77.57 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 122.896 0.479 . . . . 0.0 111.753 -176.437 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.419 ' HD3' ' O ' ' A' ' 69' ' ' LYS . 9.2 tmtt? -59.13 -45.05 91.94 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 177.585 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.471 HG23 ' ND1' ' A' ' 107' ' ' HIS . 43.9 mt -71.75 -37.88 64.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.987 176.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.617 HD22 ' HG3' ' A' ' 52' ' ' LYS . 71.8 mt -55.64 -49.62 72.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.158 0.504 . . . . 0.0 110.958 176.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -69.3 -35.75 76.32 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.101 179.095 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.508 ' HB3' ' CE1' ' A' ' 107' ' ' HIS . 0.5 OUTLIER -63.44 -50.19 70.75 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.999 179.281 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.419 ' O ' HG13 ' A' ' 78' ' ' ILE . 3.3 tp10 -63.08 -35.96 81.99 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.071 -0.968 . . . . 0.0 109.827 -175.484 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.58 -34.86 77.83 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.253 0.549 . . . . 0.0 110.424 174.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 25.1 tptp -67.52 -31.6 71.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.137 178.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.43 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 43.7 m170 -70.99 -48.1 55.11 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.573 0.701 . . . . 0.0 109.954 177.238 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.681 HG23 HG13 ' A' ' 41' ' ' VAL . 93.1 mt -62.11 -42.42 95.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 114.75 -1.114 . . . . 0.0 112.282 -173.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 80' ' ' TRP . 4.5 pt-20 -56.8 -35.54 68.86 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.944 0.402 . . . . 0.0 110.747 179.057 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.575 ' CZ2' HD13 ' A' ' 96' ' ' LEU . 15.5 t-105 -71.44 -58.28 3.66 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.732 179.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 49.1 m-70 -59.61 -40.5 87.72 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -175.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -64.56 -41.23 96.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.73 0.3 . . . . 0.0 110.668 -178.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.94 -33.47 68.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.049 0.452 . . . . 0.0 111.128 178.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.42 -9.67 58.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.702 -0.681 . . . . 0.0 112.701 -176.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.546 ' HA ' HD22 ' A' ' 37' ' ' ASN . 19.7 m -48.8 94.94 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -177.294 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -153.92 160.78 42.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.247 178.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.404 ' HG2' ' O ' ' A' ' 87' ' ' GLN . 0.7 OUTLIER -101.73 104.67 15.48 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 174.096 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.443 ' HA2' ' OE2' ' A' ' 30' ' ' GLU . . . 150.76 -153.09 24.8 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.025 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.434 ' HB2' ' O ' ' A' ' 88' ' ' GLY . 0.9 OUTLIER 73.42 -55.66 0.67 Allowed 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.419 0.688 . . . . 0.0 111.768 178.321 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 59.6 -94.91 0.05 Allowed 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 176.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 92' ' ' GLN . 13.7 pt-20 -64.11 -44.89 90.88 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -170.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.416 ' N ' ' HG3' ' A' ' 91' ' ' GLU . 19.0 pt20 -68.09 -34.36 76.26 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.113 0.482 . . . . 0.0 110.027 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.426 ' O ' HG23 ' A' ' 97' ' ' VAL . 86.4 t80 -66.11 -46.54 77.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.99 177.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.405 ' HB2' ' HB3' ' A' ' 25' ' ' ALA . . . -58.32 -42.46 86.81 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.351 178.74 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 50.0 m -60.75 -40.6 93.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.104 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.575 HD13 ' CZ2' ' A' ' 80' ' ' TRP . 73.5 mt -72.26 -33.24 67.35 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.167 -178.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 93' ' ' PHE . 98.5 t -71.72 -35.62 56.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.154 0.502 . . . . 0.0 110.486 175.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.39 -44.02 84.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.163 179.439 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -66.89 -34.1 77.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.802 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.43 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 6.7 t-160 -60.24 -43.87 95.72 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 175.17 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.603 HD22 HD11 ' A' ' 22' ' ' LEU . 40.3 tp -60.19 -45.58 92.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.967 179.119 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -61.51 -39.92 92.73 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-O 121.151 0.501 . . . . 0.0 110.575 178.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -59.97 -48.78 80.29 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.475 179.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.403 ' O ' HG23 ' A' ' 108' ' ' VAL . 28.7 mm-40 -64.57 -20.3 66.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.28 -176.01 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.459 ' HG3' ' O ' ' A' ' 101' ' ' LEU . 77.8 mt-30 -63.15 -38.53 91.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.96 0.409 . . . . 0.0 109.94 176.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 25.0 mmt180 -70.07 -33.19 71.6 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.157 175.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.508 ' CE1' ' HB3' ' A' ' 73' ' ' ASP . 14.3 m170 -60.44 -50.21 74.49 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.022 177.543 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 104' ' ' GLU . 58.1 t -63.09 -40.8 90.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.442 -178.52 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.663 ' O ' ' HG2' ' A' ' 113' ' ' LYS . 21.2 mt-10 -58.0 -48.67 79.34 Favored 'General case' 0 CA--C 1.519 -0.213 0 N-CA-C 111.627 0.232 . . . . 0.0 111.627 -178.712 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.755 ' HG3' HG13 ' A' ' 66' ' ' VAL . 14.5 tp10 -70.53 -33.45 71.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.887 0.375 . . . . 0.0 110.313 -176.205 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.492 HG12 ' O ' ' A' ' 107' ' ' HIS . 28.7 mm -56.92 -48.86 80.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.074 173.304 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.55 ' HA ' ' HB3' ' A' ' 115' ' ' ASN . 47.7 mt-10 -75.42 -11.41 60.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.895 -176.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.663 ' HG2' ' O ' ' A' ' 109' ' ' GLU . 34.6 mmtp -73.41 -34.31 65.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.266 0.555 . . . . 0.0 109.744 174.005 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -98.32 -5.7 32.38 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.466 -179.159 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.55 ' HB3' ' HA ' ' A' ' 112' ' ' GLU . 27.3 t-20 . . . . . 0 C--O 1.246 0.888 0 CA-C-O 118.455 -0.784 . . . . 0.0 110.744 -177.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 mpp? . . . . . 0 N--CA 1.482 1.137 0 CA-C-O 120.819 0.342 . . . . 0.0 110.214 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.433 ' O ' ' HG2' ' A' ' 6' ' ' GLU . 1.7 m-20 -94.47 108.76 20.68 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.105 0.478 . . . . 0.0 110.428 -178.429 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -56.61 123.03 13.46 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.312 -175.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.8 mt 70.56 -44.48 0.58 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.347 -0.842 . . . . 0.0 112.619 178.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.44 -51.21 70.79 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -170.38 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.66 ' HG3' HD12 ' A' ' 7' ' ' LEU . 11.8 pt-20 -72.35 -35.31 68.51 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.37 -0.532 . . . . 0.0 111.523 -179.485 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.66 HD12 ' HG3' ' A' ' 6' ' ' GLU . 6.9 mp -68.72 -43.15 76.58 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.611 0.243 . . . . 0.0 111.141 -177.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.562 ' O ' ' HG2' ' A' ' 12' ' ' GLN . 55.3 mt -64.8 -33.82 76.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.932 -179.623 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 53.0 tttp -59.03 -38.2 78.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.535 -173.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.18 -46.32 74.33 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 111.548 0.203 . . . . 0.0 111.548 -177.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -64.37 -37.71 88.47 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 121.007 0.432 . . . . 0.0 109.946 178.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.562 ' HG2' ' O ' ' A' ' 8' ' ' LEU . 85.3 mm-40 -66.28 -43.36 86.63 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.8 176.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.437 ' O ' HG13 ' A' ' 17' ' ' ILE . 8.4 mm-40 -62.34 -41.32 98.47 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.505 -179.432 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.6 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -58.66 -46.38 93.41 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.699 -0.763 . . . . 0.0 111.987 179.334 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.472 ' HA ' HD12 ' A' ' 18' ' ' LEU . 68.2 mt -61.27 -42.1 92.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.818 0.342 . . . . 0.0 110.779 178.366 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.755 ' HA ' ' HE2' ' A' ' 19' ' ' LYS . 80.1 tttt -58.25 -47.44 83.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.666 178.597 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.55 ' O ' HG23 ' A' ' 21' ' ' VAL . 70.5 mt -63.47 -39.46 85.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.443 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.6 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 95.7 mt -56.75 -39.49 74.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.289 -178.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.755 ' HE2' ' HA ' ' A' ' 16' ' ' LYS . 42.9 mtmt -61.15 -45.86 92.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.28 0.562 . . . . 0.0 110.591 179.409 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.02 -32.18 63.26 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.621 -177.539 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.667 HG21 HD11 ' A' ' 40' ' ' ILE . 64.9 t -59.85 -49.77 82.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.795 -0.184 . . . . 0.0 111.181 177.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 19' ' ' LYS . 4.3 pp -66.69 -34.25 77.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.335 0.588 . . . . 0.0 109.783 177.076 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.17 -47.65 85.21 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.422 178.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 32.9 tptt -78.12 -22.33 49.03 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.872 -175.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.525 ' HA ' HD11 ' A' ' 33' ' ' LEU . . . -64.64 -36.01 82.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.49 177.099 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -71.83 -27.43 62.9 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.452 177.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -74.04 -43.17 58.81 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.073 176.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.8 37.68 5.16 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.687 -0.768 . . . . 0.0 114.337 169.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -97.19 106.26 18.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 117.526 0.663 . . . . 0.0 109.476 172.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -66.93 -38.74 86.73 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.487 -175.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -63.64 -44.17 94.65 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 120.807 0.337 . . . . 0.0 110.642 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.502 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 7.6 tp10 -64.35 -47.21 80.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.889 176.626 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.525 HD11 ' HA ' ' A' ' 25' ' ' ALA . 25.5 mt -56.82 -40.77 76.61 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.821 -179.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.18 -45.5 91.48 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.757 0.313 . . . . 0.0 110.981 178.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 13.5 ttp180 -66.37 -41.66 89.12 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.063 178.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.579 ' HB3' HG22 ' A' ' 21' ' ' VAL . 97.7 mt -59.87 -45.45 92.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.789 0.328 . . . . 0.0 110.605 178.314 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -59.82 -42.87 94.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.271 178.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 64.8 mm-40 -66.67 -36.84 83.49 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.378 177.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -67.04 -37.59 84.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.737 -178.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.667 HD11 HG21 ' A' ' 21' ' ' VAL . 74.9 mt -56.94 -47.04 83.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.248 176.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.411 HG13 ' CG2' ' A' ' 78' ' ' ILE . 94.7 t -54.07 -48.18 65.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.889 179.517 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.42 ' HD3' ' HA ' ' A' ' 42' ' ' LYS . 51.2 mmtt -63.29 -45.67 90.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.767 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.03 -46.77 86.0 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.395 -177.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.514 ' O ' HG23 ' A' ' 48' ' ' VAL . 4.8 mt-10 -71.21 -35.74 71.63 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.416 -178.284 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.509 ' HG2' HD13 ' A' ' 78' ' ' ILE . 18.2 mmtm -59.23 -41.24 88.2 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 120.777 0.323 . . . . 0.0 111.333 176.24 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 47.1 tp60 -63.2 -40.65 98.11 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.43 -41.58 97.97 Favored Glycine 0 N--CA 1.451 -0.367 0 CA-C-N 115.716 -0.674 . . . . 0.0 112.057 177.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 44' ' ' GLU . 92.6 t -58.3 -47.45 87.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.555 0.217 . . . . 0.0 111.183 178.181 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 74.3 tttt -63.06 -45.67 91.07 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.71 -0.223 . . . . 0.0 111.574 -176.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 33.8 m -69.72 -30.59 45.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 120.72 0.295 . . . . 0.0 110.996 -179.321 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.421 ' HE1' ' HB3' ' A' ' 7' ' ' LEU . 5.5 m-30 -68.06 -39.95 82.89 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 174.665 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.447 ' CG ' HD11 ' A' ' 71' ' ' LEU . 25.7 mtpp -60.71 -38.85 86.45 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.034 176.239 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -57.11 -47.42 81.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.582 177.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.05 -38.67 66.4 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.771 179.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.91 -47.97 70.11 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -176.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -75.41 -7.51 54.26 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.932 0.396 . . . . 0.0 111.494 -179.273 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -120.44 20.75 11.83 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.506 178.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -79.62 130.41 35.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.265 0.555 . . . . 0.0 112.113 -173.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 60.4 ttt180 -93.92 -31.27 14.36 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.459 175.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -99.07 116.65 65.08 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.327 -179.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -68.15 -32.89 26.32 Favored 'Trans proline' 0 C--O 1.234 0.318 0 C-N-CA 122.954 2.436 . . . . 0.0 112.913 -176.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -64.24 -45.37 88.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.88 -175.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -75.81 -31.51 59.44 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.767 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -64.87 -36.82 85.58 Favored 'General case' 0 C--O 1.221 -0.429 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 179.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.78 -44.9 90.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.867 0.365 . . . . 0.0 110.234 177.235 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 54.3 t -62.98 -50.07 81.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.485 178.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 80.8 mt -61.32 -44.9 99.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.808 179.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -56.07 -48.94 75.11 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 123.046 0.538 . . . . 0.0 111.292 -176.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.487 ' HE3' ' HA ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -67.82 -44.6 76.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.814 -178.582 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.467 HG23 ' ND1' ' A' ' 107' ' ' HIS . 31.4 mt -68.66 -38.39 78.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.677 0.275 . . . . 0.0 111.059 -179.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.447 HD11 ' CG ' ' A' ' 52' ' ' LYS . 6.7 tt -56.29 -49.08 75.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.454 0.645 . . . . 0.0 109.625 174.017 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -64.37 -39.03 93.08 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.989 -179.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.45 ' HB3' ' CE1' ' A' ' 107' ' ' HIS . 0.8 OUTLIER -66.47 -44.21 83.33 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.422 178.487 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -60.93 -38.63 86.49 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.109 -0.951 . . . . 0.0 110.619 -175.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -69.9 -35.0 74.26 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-O 121.291 0.567 . . . . 0.0 110.173 175.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -63.95 -33.31 75.44 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.398 178.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.413 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 62.5 m170 -60.16 -48.33 82.18 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.304 0.573 . . . . 0.0 110.376 176.137 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.509 HD13 ' HG2' ' A' ' 45' ' ' LYS . 73.7 mt -64.26 -42.24 94.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.663 -177.345 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -57.7 -40.37 79.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.552 175.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 25.2 t-105 -67.2 -51.12 57.3 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -56.04 -40.08 72.96 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 120.757 0.313 . . . . 0.0 111.188 178.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 26.2 ttmt -63.08 -48.19 79.69 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.801 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.08 -29.91 65.89 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.709 -176.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.25 -11.9 60.17 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.918 0.39 . . . . 0.0 111.326 -178.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.6 m -85.12 42.75 0.96 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.975 0.417 . . . . 0.0 111.257 -177.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -107.44 -60.37 1.7 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.293 178.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 9.7 tm0? -160.47 123.89 3.47 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 178.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 124.68 67.75 0.2 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.051 178.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.568 ' HA ' ' HB2' ' A' ' 93' ' ' PHE . 9.6 p30 -107.91 -172.18 2.01 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.571 0.224 . . . . 0.0 110.484 -177.438 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 62.5 -91.26 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 115.703 -0.681 . . . . 0.0 112.097 -179.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -69.82 -48.98 56.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.861 0.362 . . . . 0.0 110.938 -173.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.444 ' O ' ' HG ' ' A' ' 96' ' ' LEU . 25.6 mt-30 -69.49 -35.62 75.74 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.308 0.575 . . . . 0.0 110.087 177.586 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.568 ' HB2' ' HA ' ' A' ' 89' ' ' ASN . 55.4 t80 -62.69 -45.52 92.4 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.024 -0.989 . . . . 0.0 111.169 -177.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.15 -36.96 83.4 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.8 0.333 . . . . 0.0 110.942 179.009 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 17.6 m -64.4 -35.83 82.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.733 178.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 92' ' ' GLN . 94.2 mt -68.66 -35.78 77.69 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.594 178.432 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 93' ' ' PHE . 57.4 t -62.7 -38.53 81.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.018 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -60.19 -38.15 82.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.816 0.341 . . . . 0.0 111.006 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -70.27 -42.39 72.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.421 -179.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.432 ' O ' ' HG2' ' A' ' 104' ' ' GLU . 4.3 t-160 -63.27 -43.43 97.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.787 178.368 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.466 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 44.3 tp -61.53 -48.12 82.46 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.319 -178.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -60.27 -41.16 92.69 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-O 121.288 0.566 . . . . 0.0 110.416 178.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -61.1 -49.13 78.55 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.301 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' A' ' 100' ' ' HIS . 18.4 mm-40 -65.99 -26.84 67.73 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.205 -177.064 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.466 ' HG3' ' O ' ' A' ' 101' ' ' LEU . 78.3 mt-30 -60.88 -46.64 89.81 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 175.123 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 31.3 mmm180 -66.8 -31.81 72.68 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.268 178.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.505 ' O ' HG12 ' A' ' 111' ' ' ILE . 10.7 m170 -59.33 -50.87 72.34 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.975 0.417 . . . . 0.0 110.128 175.245 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 95.5 t -67.79 -43.33 86.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.393 -178.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.456 ' HG3' ' O ' ' A' ' 105' ' ' GLN . 46.2 mt-10 -58.85 -35.63 73.24 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 120.799 0.333 . . . . 0.0 110.974 179.08 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 19.8 tp10 -71.71 -45.03 63.11 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.708 178.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.505 HG12 ' O ' ' A' ' 107' ' ' HIS . 33.4 mm -62.28 -60.67 2.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-O 121.04 0.448 . . . . 0.0 111.067 179.65 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -95.3 68.16 3.02 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-O 121.475 0.655 . . . . 0.0 110.686 -170.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -49.68 -45.14 48.42 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.652 -1.158 . . . . 0.0 111.11 174.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -115.65 90.39 3.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.069 179.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 37.8 t-20 . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.094 -0.955 . . . . 0.0 108.561 173.635 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 tmt? . . . . . 0 N--CA 1.483 1.181 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 55.16 54.94 8.14 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.306 -0.861 . . . . 0.0 112.998 165.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -62.24 -37.56 85.86 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 171.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.598 ' O ' ' HG ' ' A' ' 8' ' ' LEU . 44.1 tp 73.26 -66.69 0.3 Allowed 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 114.47 -1.241 . . . . 0.0 112.464 172.151 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 20.8 mtp180 -58.97 -50.58 73.52 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -170.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.407 ' HA ' ' HD3' ' A' ' 9' ' ' LYS . 3.9 tp10 -71.21 -35.06 71.4 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.173 0.511 . . . . 0.0 110.295 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 22.3 mt -65.96 -42.27 90.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.518 -173.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.598 ' HG ' ' O ' ' A' ' 4' ' ' LEU . 80.2 mt -63.57 -30.87 71.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.03 0.443 . . . . 0.0 111.477 -176.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.407 ' HD3' ' HA ' ' A' ' 6' ' ' GLU . 55.8 mtpt -60.91 -33.49 73.21 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.847 -176.682 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.06 -46.43 87.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.772 -0.195 . . . . 0.0 111.482 -178.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -66.2 -37.28 85.21 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.791 0.329 . . . . 0.0 110.219 177.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 78.2 mm-40 -61.75 -43.09 99.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.342 175.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -62.73 -43.12 99.62 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.184 178.134 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.56 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -59.89 -47.64 90.01 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.557 -0.83 . . . . 0.0 111.992 179.201 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 76.5 mt -64.47 -41.35 92.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.143 0.496 . . . . 0.0 110.074 178.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.406 ' HA ' ' HD3' ' A' ' 19' ' ' LYS . 87.9 tttt -57.13 -45.71 83.28 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.145 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.47 ' O ' HG23 ' A' ' 21' ' ' VAL . 67.2 mt -69.51 -40.29 79.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.789 178.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.56 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 95.2 mt -58.2 -42.47 86.22 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 120.911 0.386 . . . . 0.0 110.58 177.106 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.406 ' HD3' ' HA ' ' A' ' 16' ' ' LYS . 53.8 mtpt -56.72 -36.94 70.29 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.174 175.103 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -69.91 -39.99 75.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.394 177.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.473 HG21 HD11 ' A' ' 40' ' ' ILE . 60.0 t -60.45 -39.77 82.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.121 177.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 95.9 mt -55.94 -41.94 75.42 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 177.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.7 mmmt -72.22 -46.78 54.7 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.093 179.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.599 ' HG2' ' HG2' ' A' ' 32' ' ' GLU . 1.6 mptm? -72.48 -18.2 61.69 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -175.38 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.62 98.42 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.831 0.348 . . . . 0.0 110.575 176.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -72.07 -19.67 61.78 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.782 -179.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.493 ' HG2' ' HA ' ' A' ' 24' ' ' LYS . 33.1 mm-40 -62.07 -26.59 68.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.969 0.414 . . . . 0.0 110.453 177.42 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 74.75 30.71 59.32 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.961 -0.637 . . . . 0.0 112.447 178.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.411 ' OD2' ' HB3' ' A' ' 31' ' ' GLN . 22.9 t70 -121.92 120.66 35.12 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.066 0.46 . . . . 0.0 110.592 -179.408 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -87.26 -18.53 30.01 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.72 -175.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.411 ' HB3' ' OD2' ' A' ' 29' ' ' ASP . 7.8 tt0 -63.08 -47.74 81.62 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.029 176.082 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.599 ' HG2' ' HG2' ' A' ' 24' ' ' LYS . 3.9 tp10 -65.17 -42.66 93.46 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.44 175.249 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 76.4 mt -56.75 -44.03 81.34 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.118 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.74 -44.82 96.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.657 178.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -59.6 -49.94 75.79 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.087 177.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.551 ' O ' HG13 ' A' ' 40' ' ' ILE . 88.4 mt -63.01 -44.32 96.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.726 -179.084 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.487 ' HA ' HD12 ' A' ' 40' ' ' ILE . 6.6 t30 -57.96 -40.56 80.87 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.715 -179.073 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -68.74 -39.57 80.27 Favored 'General case' 0 N--CA 1.437 -1.122 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.057 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -66.8 -32.23 73.38 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.648 -0.251 . . . . 0.0 110.788 178.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.551 HG13 ' O ' ' A' ' 36' ' ' LEU . 87.9 mt -57.79 -49.64 80.24 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.121 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 173.475 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.492 HG22 HG23 ' A' ' 78' ' ' ILE . 95.4 t -56.52 -46.55 82.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.872 177.074 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -62.54 -44.45 96.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.271 -179.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.73 -47.19 63.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.4 -177.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.484 ' O ' HG23 ' A' ' 48' ' ' VAL . 42.7 mt-10 -66.33 -41.32 89.8 Favored 'General case' 0 C--O 1.223 -0.327 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.906 -177.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.537 ' HA ' ' HB ' ' A' ' 48' ' ' VAL . 49.6 mttt -69.72 -28.57 65.93 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 178.656 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 22.2 tp60 -59.39 -42.28 91.35 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 170.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -68.83 -45.62 63.77 Favored Glycine 0 N--CA 1.45 -0.432 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.967 173.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.537 ' HB ' ' HA ' ' A' ' 45' ' ' LYS . 69.1 t -54.18 -38.26 38.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.506 0.193 . . . . 0.0 110.827 177.308 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 49.4 tptt -56.93 -52.4 65.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.024 -179.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 16.9 m -72.51 -35.33 50.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.959 -178.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -72.12 -37.35 69.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.767 -0.197 . . . . 0.0 111.513 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.506 ' HE2' HD11 ' A' ' 71' ' ' LEU . 33.4 ttmt -65.85 -32.52 74.09 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.162 0.506 . . . . 0.0 110.033 178.178 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.84 -44.53 76.97 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.594 173.466 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.01 -32.53 69.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.143 -0.935 . . . . 0.0 112.442 -176.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.425 ' O ' ' HG2' ' A' ' 64' ' ' ARG . . . -58.1 -37.73 75.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.088 0.47 . . . . 0.0 111.856 -177.44 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -91.31 8.88 33.84 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.451 -178.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.432 ' HE3' ' HB2' ' A' ' 57' ' ' LYS . 34.2 ttmt -144.95 26.5 1.36 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.611 0.72 . . . . 0.0 109.914 -174.413 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.96 -13.76 59.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.43 -0.805 . . . . 0.0 112.381 -174.002 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 54.8 mmm-85 71.58 -63.26 0.43 Allowed 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.196 0.598 . . . . 0.0 111.509 178.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -88.24 141.5 30.96 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.952 -178.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_endo -58.94 -36.0 97.62 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.828 2.352 . . . . 0.0 112.433 178.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.42 ' O ' HG23 ' A' ' 66' ' ' VAL . 47.2 tt0 -64.4 -44.78 90.2 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-O 120.848 0.356 . . . . 0.0 110.296 179.313 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -62.76 -42.85 99.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.828 178.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.444 ' NH1' ' HB2' ' A' ' 68' ' ' ASP . 0.1 OUTLIER -60.68 -41.65 95.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.512 -178.515 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.69 -45.43 65.01 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.328 -179.681 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 62' ' ' GLU . 79.7 t -62.06 -48.19 89.64 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-O 120.825 0.345 . . . . 0.0 110.927 -178.305 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 78.7 mt -61.8 -40.75 88.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.551 179.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.444 ' HB2' ' NH1' ' A' ' 64' ' ' ARG . 24.1 t70 -63.08 -45.08 93.8 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.792 0.33 . . . . 0.0 111.059 -178.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 50.5 tttp -58.76 -46.54 87.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.748 -179.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.432 HG23 ' ND1' ' A' ' 107' ' ' HIS . 22.9 mt -72.77 -38.61 58.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.311 179.422 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.506 HD11 ' HE2' ' A' ' 52' ' ' LYS . 2.1 tm? -58.92 -48.64 80.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.878 0.371 . . . . 0.0 110.179 179.309 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -65.02 -36.69 85.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.255 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.459 ' HB3' ' CE1' ' A' ' 107' ' ' HIS . 0.9 OUTLIER -70.92 -41.51 71.1 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.482 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.4 ' HB2' ' O ' ' A' ' 70' ' ' ILE . 1.5 tp10 -63.97 -41.61 97.5 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.19 -177.092 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -66.86 -34.55 78.05 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 121.362 0.601 . . . . 0.0 109.682 175.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.451 ' HB3' ' O ' ' A' ' 73' ' ' ASP . 31.9 ttmt -63.5 -40.31 96.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.756 177.416 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.501 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 56.3 m170 -61.07 -47.73 85.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.614 0.721 . . . . 0.0 109.764 177.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.515 ' CD1' ' HG3' ' A' ' 45' ' ' LYS . 76.7 mt -64.21 -44.76 97.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 114.786 -1.097 . . . . 0.0 112.062 -175.525 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.45 ' HG2' ' HA ' ' A' ' 76' ' ' LYS . 4.6 pt-20 -64.01 -32.02 73.42 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.21 178.207 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 22.7 t-105 -68.18 -54.12 20.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.082 177.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 37.1 m-70 -60.27 -39.13 85.75 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.232 -0.44 . . . . 0.0 112.041 178.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 51.6 tptt -60.63 -42.93 97.87 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.675 0.274 . . . . 0.0 110.764 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.01 -43.03 79.76 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.237 -178.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.4 -18.77 59.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.506 -177.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.439 ' HB2' ' ND2' ' A' ' 37' ' ' ASN . 47.9 t -62.18 -20.92 64.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.768 -177.367 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 10.4 mtmp? -117.53 23.2 11.92 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.802 0.334 . . . . 0.0 111.12 -176.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -118.84 139.93 50.8 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.674 0.273 . . . . 0.0 110.67 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -80.63 102.56 2.12 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.265 176.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.525 ' OD1' ' HB2' ' A' ' 92' ' ' GLN . 23.0 t-20 -137.65 -56.57 0.68 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.727 0.298 . . . . 0.0 111.098 -173.567 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 67.89 -80.46 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 177.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -68.77 -47.81 65.27 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 -167.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.525 ' HB2' ' OD1' ' A' ' 89' ' ' ASN . 2.0 mp0 -67.86 -33.75 75.37 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.984 0.421 . . . . 0.0 110.085 -178.495 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.466 ' O ' HG23 ' A' ' 97' ' ' VAL . 72.6 t80 -55.7 -38.36 69.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.786 175.196 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.77 -38.56 88.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.9 178.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 35.6 m -68.47 -33.23 73.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.452 177.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.463 HD12 ' HA ' ' A' ' 93' ' ' PHE . 85.3 mt -65.42 -34.24 77.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.545 178.551 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 93' ' ' PHE . 49.2 t -64.78 -37.07 79.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.322 177.537 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -62.49 -38.36 89.6 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 176.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -63.92 -41.82 97.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.948 0.404 . . . . 0.0 110.201 177.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.501 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 4.3 t-160 -65.47 -42.97 91.67 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.903 179.503 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.474 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 0.2 OUTLIER -58.31 -46.83 85.41 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.931 178.719 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -68.13 -35.6 78.36 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.895 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -65.96 -47.38 74.78 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.994 -177.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.425 ' O ' HG23 ' A' ' 108' ' ' VAL . 40.9 mm-40 -64.62 -24.48 67.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.608 0.242 . . . . 0.0 110.796 -177.371 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.474 ' HG3' ' O ' ' A' ' 101' ' ' LEU . 77.9 mt-30 -64.17 -37.24 86.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.972 0.415 . . . . 0.0 109.945 175.225 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 4.4 tpm_? -66.71 -38.69 87.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.396 174.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.603 ' O ' HG13 ' A' ' 111' ' ' ILE . 17.0 m170 -60.22 -49.87 75.9 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.129 177.003 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 104' ' ' GLU . 76.0 t -59.57 -43.18 90.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.56 -179.368 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -63.1 -34.04 76.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.788 0.328 . . . . 0.0 111.284 178.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.74 -34.17 73.45 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.879 177.423 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.603 HG13 ' O ' ' A' ' 107' ' ' HIS . 44.5 mt -81.23 -60.32 2.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.512 -177.506 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -81.03 50.74 1.44 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.62 0.724 . . . . 0.0 110.741 -175.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -67.93 -42.1 81.57 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.096 -0.957 . . . . 0.0 110.839 179.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -129.29 25.31 5.49 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.275 0.559 . . . . 0.0 110.259 -178.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 9.0 t30 . . . . . 0 C--O 1.246 0.876 0 CA-C-O 118.495 -0.764 . . . . 0.0 109.625 -178.519 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.0 ptt? . . . . . 0 N--CA 1.479 1.015 0 CA-C-O 120.74 0.305 . . . . 0.0 110.356 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -120.38 120.34 35.7 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.043 -178.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -133.31 -68.6 0.58 Allowed 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 178.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.707 ' HG ' HD12 ' A' ' 7' ' ' LEU . 8.3 mp 61.49 18.7 9.66 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.486 177.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 13.1 ttp180 -57.94 -49.81 75.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.516 -176.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -70.1 -34.42 73.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.826 0.346 . . . . 0.0 111.112 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.707 HD12 ' HG ' ' A' ' 4' ' ' LEU . 72.7 mt -64.91 -28.99 69.91 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.651 -174.506 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' ' 4' ' ' LEU . 95.8 mt -62.66 -31.59 72.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.817 0.342 . . . . 0.0 111.595 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -61.1 -34.44 74.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.577 -177.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.78 -47.11 85.85 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.871 0.323 . . . . 0.0 111.871 -176.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.433 ' O ' HG13 ' A' ' 15' ' ' ILE . 6.0 tp10 -68.98 -41.51 77.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.948 0.404 . . . . 0.0 110.001 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -60.01 -42.99 95.51 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.232 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 57.1 tp60 -61.19 -43.67 98.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.62 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.499 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -59.91 -46.0 94.88 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.872 -0.68 . . . . 0.0 111.918 178.017 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.512 ' HA ' HD12 ' A' ' 18' ' ' LEU . 67.8 mt -62.25 -39.39 83.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.862 0.363 . . . . 0.0 110.888 179.308 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? -61.17 -46.21 91.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.073 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 64.4 mt -64.68 -37.6 80.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.75 179.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.538 ' HB3' HD21 ' A' ' 101' ' ' LEU . 95.7 mt -57.87 -37.6 74.22 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.123 177.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -62.99 -36.39 83.36 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.092 179.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -72.27 -35.08 68.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.166 0.507 . . . . 0.0 109.938 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.658 HG21 HD11 ' A' ' 40' ' ' ILE . 99.4 t -63.1 -39.6 85.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.917 178.064 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 95.9 mt -55.73 -35.66 66.38 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.824 177.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -71.16 -47.49 57.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.501 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 64.2 mmtt -69.04 -28.63 66.72 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.823 -177.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.88 -40.81 95.7 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.004 0.431 . . . . 0.0 110.612 177.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -72.78 -25.8 61.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.661 177.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -70.33 -42.62 71.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.962 0.41 . . . . 0.0 110.018 173.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.49 33.35 9.38 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.933 -0.651 . . . . 0.0 113.041 174.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.447 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 11.6 t70 -103.01 100.51 10.45 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 175.067 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.404 ' HB3' ' HA3' ' A' ' 88' ' ' GLY . 34.0 mt-10 -70.59 -20.72 62.74 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.444 -174.354 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -70.33 -48.56 55.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.079 0.466 . . . . 0.0 109.941 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.44 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 48.7 mt-10 -67.49 -38.37 84.25 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.387 176.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 75.2 mt -58.53 -44.1 89.45 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.264 178.442 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.05 -41.72 98.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.868 178.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 63.9 ttt180 -67.03 -38.55 86.11 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 120.7 0.286 . . . . 0.0 110.65 177.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.543 ' O ' HG13 ' A' ' 40' ' ' ILE . 87.5 mt -61.83 -40.32 94.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.249 176.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.523 ' O ' HG23 ' A' ' 41' ' ' VAL . 81.9 m-20 -55.74 -46.99 77.68 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.29 175.542 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -58.69 -44.74 90.38 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.127 176.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 27.6 tp10 -63.85 -38.96 93.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.312 -178.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.658 HD11 HG21 ' A' ' 21' ' ' VAL . 85.9 mt -61.99 -49.12 85.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.368 176.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.587 HG22 HG23 ' A' ' 78' ' ' ILE . 93.4 t -53.78 -45.0 61.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.968 178.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.469 ' HE2' ' O ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -61.89 -43.26 99.22 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.477 179.645 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.67 -46.91 65.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.664 -177.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.44 ' O ' HG23 ' A' ' 48' ' ' VAL . 43.1 mt-10 -68.06 -40.39 82.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.148 -177.282 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.55 ' HG3' HD13 ' A' ' 78' ' ' ILE . 50.8 mttm -62.59 -30.16 71.13 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 116.76 -0.2 . . . . 0.0 111.482 178.177 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 58.3 tp60 -59.29 -43.0 92.59 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 176.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -69.66 -47.03 51.55 Favored Glycine 0 N--CA 1.448 -0.552 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.939 175.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.462 HG11 ' HG2' ' A' ' 75' ' ' GLU . 96.4 t -56.47 -42.56 75.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.68 0.276 . . . . 0.0 111.44 -179.142 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.7 tmtt? -61.53 -50.63 71.92 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.945 -177.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 19.4 m -69.66 -31.02 47.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.992 -178.333 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.559 ' HE1' ' HB3' ' A' ' 7' ' ' LEU . 21.0 m-30 -70.16 -44.22 69.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.358 177.205 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.708 ' HG3' HD21 ' A' ' 71' ' ' LEU . 51.0 mttm -61.61 -40.44 94.83 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.311 179.632 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -67.06 -44.94 78.85 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.465 -178.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.07 -32.44 65.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.363 -178.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.39 -42.37 73.93 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 112.462 0.542 . . . . 0.0 112.462 -173.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -71.49 -19.81 62.15 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.677 0.275 . . . . 0.0 111.357 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 49.6 mttp -106.41 17.39 23.45 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.811 0.339 . . . . 0.0 111.515 -177.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -74.0 130.02 39.03 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.214 176.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.7 mpt_? -88.73 23.52 2.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.902 0.382 . . . . 0.0 110.943 -177.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.512 ' HB3' ' HB2' ' A' ' 63' ' ' LYS . 34.1 t-20 -161.72 124.8 1.83 Allowed Pre-proline 0 C--N 1.322 -0.598 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 -178.048 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.461 ' O ' ' HG2' ' A' ' 65' ' ' GLN . 17.4 Cg_endo -57.49 -47.78 20.26 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.892 2.395 . . . . 0.0 112.787 -176.738 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.416 ' O ' HG23 ' A' ' 66' ' ' VAL . 30.5 mt-10 -67.49 -34.72 77.73 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 121.024 -0.27 . . . . 0.0 110.496 -179.66 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.512 ' HB2' ' HB3' ' A' ' 60' ' ' ASN . 29.2 mmtp -59.08 -39.62 82.7 Favored 'General case' 0 CA--C 1.518 -0.261 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 175.193 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 21.2 ttt180 -68.39 -49.58 59.08 Favored 'General case' 0 C--O 1.219 -0.524 0 C-N-CA 120.451 -0.5 . . . . 0.0 110.287 175.04 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.947 ' HA ' HE21 ' A' ' 65' ' ' GLN . 0.0 OUTLIER -59.38 -36.82 76.48 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -172.883 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 62' ' ' GLU . 62.5 t -59.32 -50.45 79.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.025 0.44 . . . . 0.0 110.214 176.4 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 66.8 mt -69.94 -43.19 79.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.773 178.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.437 ' O ' ' HG2' ' A' ' 72' ' ' GLU . 16.9 t70 -57.07 -45.66 83.09 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 123.348 0.659 . . . . 0.0 111.805 -174.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -59.27 -46.08 89.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.318 0.58 . . . . 0.0 110.514 -179.518 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.586 HG23 ' ND1' ' A' ' 107' ' ' HIS . 65.4 mt -71.76 -37.8 63.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.909 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.708 HD21 ' HG3' ' A' ' 52' ' ' LYS . 5.2 tt -56.8 -51.87 67.28 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.447 178.098 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 68' ' ' ASP . 4.8 mm-40 -69.25 -35.06 75.71 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.915 -178.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.461 ' HB3' ' CE1' ' A' ' 107' ' ' HIS . 0.6 OUTLIER -61.41 -40.28 93.81 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.762 176.096 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.4 ' HB3' HG22 ' A' ' 48' ' ' VAL . 3.0 tp10 -67.66 -41.42 83.81 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.554 -175.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.629 ' HA ' ' OE1' ' A' ' 75' ' ' GLU . 1.3 mm-40 -65.13 -34.68 78.98 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.159 0.505 . . . . 0.0 110.173 172.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.436 ' HB3' ' O ' ' A' ' 73' ' ' ASP . 59.5 tttm -61.89 -37.11 83.35 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.63 176.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.504 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 62.9 m170 -61.91 -44.65 96.35 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 121.442 0.639 . . . . 0.0 110.333 177.412 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.587 HG23 HG22 ' A' ' 41' ' ' VAL . 94.3 mt -63.9 -41.99 94.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.043 -0.98 . . . . 0.0 110.988 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -60.71 -37.57 82.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.868 0.366 . . . . 0.0 110.294 173.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.488 ' HB3' ' O ' ' A' ' 77' ' ' HIS . 29.6 t-105 -61.59 -56.98 14.07 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.91 178.214 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 25.1 m-70 -61.16 -40.24 93.11 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -178.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp -65.41 -40.3 93.21 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.757 0.313 . . . . 0.0 111.029 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.17 -31.98 68.34 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.879 0.371 . . . . 0.0 110.876 178.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.76 -12.67 60.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.767 -179.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 71.1 m -79.72 40.55 0.46 Allowed 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 121.064 0.459 . . . . 0.0 111.751 -177.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.491 ' HB3' ' OE1' ' A' ' 87' ' ' GLN . 28.1 mmtp -77.03 -65.98 0.88 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.445 176.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.491 ' OE1' ' HB3' ' A' ' 86' ' ' LYS . 1.8 mp0 -99.99 -46.21 5.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.363 0.602 . . . . 0.0 110.248 177.598 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.404 ' HA3' ' HB3' ' A' ' 30' ' ' GLU . . . 124.94 -56.36 0.7 Allowed Glycine 0 N--CA 1.447 -0.615 0 N-CA-C 110.292 -1.123 . . . . 0.0 110.292 -173.709 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.559 ' HB2' ' HB2' ' A' ' 93' ' ' PHE . 18.5 m120 69.16 -176.85 0.21 Allowed 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 123.101 0.56 . . . . 0.0 111.871 173.28 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -144.8 -74.24 0.24 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.304 177.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -69.38 -43.94 72.49 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 120.672 0.272 . . . . 0.0 110.774 -178.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.576 ' O ' ' HG ' ' A' ' 96' ' ' LEU . 31.6 mm-40 -63.32 -44.26 95.47 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 177.347 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.559 ' HB2' ' HB2' ' A' ' 89' ' ' ASN . 68.2 t80 -61.72 -44.82 96.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.867 -178.412 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.23 -41.63 79.88 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.092 178.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 17.7 m -63.82 -38.99 93.16 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.664 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.576 ' HG ' ' O ' ' A' ' 92' ' ' GLN . 68.3 mt -72.0 -37.26 69.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.027 -178.58 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 93' ' ' PHE . 62.3 t -67.63 -35.89 74.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.43 177.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -59.32 -34.76 72.72 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.674 178.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -63.47 -40.89 98.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.03 0.443 . . . . 0.0 110.084 177.003 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.504 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 5.4 t-160 -61.98 -41.81 98.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.791 178.631 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.538 HD21 ' HB3' ' A' ' 18' ' ' LEU . 3.8 mm? -59.74 -48.22 82.53 Favored 'General case' 0 C--O 1.231 0.094 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.288 178.614 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -61.4 -40.08 93.08 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 121.059 0.457 . . . . 0.0 110.833 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -62.89 -49.13 76.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.29 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -66.99 -25.05 66.12 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.381 -176.037 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.492 ' HG3' ' O ' ' A' ' 101' ' ' LEU . 80.7 mt-30 -61.49 -45.72 93.05 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 176.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 25.5 ttt85 -68.56 -31.71 71.12 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.206 176.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.688 ' O ' HG13 ' A' ' 111' ' ' ILE . 7.3 m170 -57.51 -50.86 71.69 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.198 179.189 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 70.8 t -58.97 -37.89 70.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.802 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.417 ' HG3' ' O ' ' A' ' 105' ' ' GLN . 46.5 mt-10 -63.48 -48.31 78.17 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.949 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.563 ' HB2' HD11 ' A' ' 70' ' ' ILE . 25.5 mt-10 -71.6 -29.57 64.84 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.847 -176.126 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.688 HG13 ' O ' ' A' ' 107' ' ' HIS . 73.2 mt -64.66 -77.6 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-O 120.694 0.283 . . . . 0.0 111.587 -179.711 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.616 ' O ' ' HG2' ' A' ' 113' ' ' LYS . 9.3 pt-20 -82.08 -21.35 36.87 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -171.357 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.616 ' HG2' ' O ' ' A' ' 112' ' ' GLU . 18.2 ptmt 62.84 -42.54 0.19 Allowed 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 125.357 1.463 . . . . 0.0 113.95 174.732 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 48.1 tttp -87.03 23.57 1.74 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.6 0.714 . . . . 0.0 110.441 -175.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.455 ' HB2' ' HG3' ' A' ' 112' ' ' GLU . 23.0 t-20 . . . . . 0 C--O 1.248 1.024 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.746 178.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.464 ' HG2' ' N ' ' A' ' 2' ' ' ASP . 58.6 ttm . . . . . 0 N--CA 1.478 0.975 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.464 ' N ' ' HG2' ' A' ' 1' ' ' MET . 1.3 m-20 -52.6 118.15 3.41 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 123.115 0.566 . . . . 0.0 111.536 -177.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.495 ' OE2' ' HG3' ' A' ' 5' ' ' ARG . 2.4 tm-20 -166.07 -70.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 -178.464 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.7 mm? 59.45 56.88 3.54 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 113.453 0.908 . . . . 0.0 113.453 169.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.495 ' HG3' ' OE2' ' A' ' 3' ' ' GLU . 51.7 mtt180 -57.18 -34.31 68.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.26 0.552 . . . . 0.0 110.278 169.36 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -57.39 -43.46 83.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.202 -178.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 76.3 mt -68.73 -39.9 80.15 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.966 0.412 . . . . 0.0 110.762 -179.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.416 ' O ' ' HG2' ' A' ' 12' ' ' GLN . 66.6 mt -60.0 -46.7 88.61 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.57 -179.118 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.475 ' HG2' ' OE1' ' A' ' 13' ' ' GLN . 18.7 ttpp -59.43 -37.1 77.22 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.186 -176.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.56 -46.96 74.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.289 -177.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.427 ' O ' HG12 ' A' ' 15' ' ' ILE . 6.1 mm-40 -68.71 -38.0 79.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.539 -0.301 . . . . 0.0 110.4 179.265 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.416 ' HG2' ' O ' ' A' ' 8' ' ' LEU . 85.5 mm-40 -62.91 -36.84 84.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.812 177.344 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.475 ' OE1' ' HG2' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -65.51 -44.68 86.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.591 176.502 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.536 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -59.17 -46.6 93.55 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.547 -0.835 . . . . 0.0 111.618 176.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.427 HG12 ' O ' ' A' ' 11' ' ' GLU . 41.1 mm -58.62 -44.8 90.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.752 0.31 . . . . 0.0 110.375 176.655 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.9 mmmt -56.09 -44.47 79.06 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.467 -178.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.537 ' O ' HG23 ' A' ' 21' ' ' VAL . 56.8 mt -69.33 -42.82 81.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.548 178.299 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.572 ' HB3' HD21 ' A' ' 101' ' ' LEU . 94.7 mt -57.52 -37.1 72.48 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.312 -179.545 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.402 ' HG2' ' O ' ' A' ' 15' ' ' ILE . 55.1 mmtt -56.69 -45.56 81.72 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.113 0.482 . . . . 0.0 110.849 177.744 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -74.33 -34.2 63.37 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.053 -176.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.617 HG21 HD11 ' A' ' 40' ' ' ILE . 86.2 t -59.98 -41.07 84.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.854 178.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 97.7 mt -56.99 -35.34 69.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.118 0.485 . . . . 0.0 110.633 178.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -72.16 -46.8 54.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.756 178.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.458 ' HD3' ' HA ' ' A' ' 24' ' ' LYS . 70.0 mmtt -73.15 -26.98 61.41 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.928 -175.242 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.87 -35.65 78.9 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.273 0.559 . . . . 0.0 109.731 173.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -72.52 -20.42 61.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.396 179.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -84.97 -22.03 29.32 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.753 175.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 70.06 38.96 73.92 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.953 -0.642 . . . . 0.0 111.903 -177.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -102.52 107.13 17.98 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.777 0.322 . . . . 0.0 110.51 -177.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -69.04 -32.05 71.26 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.864 -177.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -70.27 -45.94 65.36 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-O 120.864 0.364 . . . . 0.0 110.406 -177.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -64.73 -44.13 91.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.345 176.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 28.8 mt -59.86 -41.35 91.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.44 178.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.78 -45.27 90.47 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.746 0.308 . . . . 0.0 110.981 179.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.9 ttm-85 -62.84 -48.69 77.99 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.294 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.596 ' O ' HG13 ' A' ' 40' ' ' ILE . 91.1 mt -64.19 -45.67 87.33 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.018 -179.107 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.442 ' HA ' HD12 ' A' ' 40' ' ' ILE . 64.0 t30 -58.04 -44.3 87.3 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.172 0.51 . . . . 0.0 110.354 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.469 HE21 ' CA ' ' A' ' 38' ' ' GLN . 0.0 OUTLIER -61.46 -44.01 97.86 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.176 178.848 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -71.49 -29.38 64.75 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.82 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.617 HD11 HG21 ' A' ' 21' ' ' VAL . 87.0 mt -56.73 -49.07 79.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 172.413 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.3 t -55.57 -40.8 61.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.364 177.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.456 ' HG2' ' O ' ' A' ' 38' ' ' GLN . 33.6 mmtp -58.02 -47.24 83.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.498 177.625 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.88 -47.64 61.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.581 -176.258 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.494 ' O ' HG23 ' A' ' 48' ' ' VAL . 6.1 mm-40 -60.5 -46.3 90.63 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.442 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.607 ' HE2' HG21 ' A' ' 78' ' ' ILE . 69.6 mmtt -62.36 -42.84 99.72 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 120.782 0.325 . . . . 0.0 111.31 179.023 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 21.4 tm0? -63.89 -43.48 95.86 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 -179.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.64 -46.76 93.46 Favored Glycine 0 N--CA 1.447 -0.584 0 CA-C-N 115.663 -0.699 . . . . 0.0 112.069 177.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 44' ' ' GLU . 65.6 t -54.31 -40.49 48.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.751 0.31 . . . . 0.0 111.019 178.035 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.45 ' HB2' ' NZ ' ' A' ' 49' ' ' LYS . 0.1 OUTLIER -64.87 -42.28 94.97 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.581 -179.183 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 23.9 t -69.22 -37.01 75.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.082 0.468 . . . . 0.0 110.182 177.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.554 ' HB3' ' HG ' ' A' ' 71' ' ' LEU . 18.1 m-85 -64.72 -39.4 93.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.908 176.508 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.747 ' HD3' HD11 ' A' ' 71' ' ' LEU . 65.0 mmtt -58.19 -32.98 68.77 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 121.036 0.446 . . . . 0.0 110.533 176.064 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -67.51 -50.64 57.9 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.688 177.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.47 -46.97 44.98 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -176.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.42 -40.61 97.64 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.821 0.344 . . . . 0.0 111.882 -173.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -77.37 -0.85 27.24 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.78 0.324 . . . . 0.0 110.981 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -130.49 25.64 5.1 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.703 -178.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.416 ' HB3' ' HG3' ' A' ' 64' ' ' ARG . . . -74.72 156.86 36.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.306 -177.088 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 20.4 ttm-85 -90.47 -38.8 13.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.545 -173.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -122.89 135.47 25.84 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.204 -176.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -53.8 -47.7 25.74 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 123.059 2.506 . . . . 0.0 112.823 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -59.89 -42.62 94.2 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.842 0.353 . . . . 0.0 111.016 179.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 45.1 mtpt -72.21 -35.23 68.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.173 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.416 ' HG3' ' HB3' ' A' ' 58' ' ' ALA . 2.5 ttp180 -62.37 -41.62 98.77 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.914 177.396 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.52 -34.02 72.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.463 -178.528 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 57.6 t -64.27 -52.22 58.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 121.064 0.459 . . . . 0.0 110.214 176.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 57.8 mt -65.72 -39.09 83.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.674 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -60.19 -49.0 79.38 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.951 -177.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.483 ' O ' ' HB2' ' A' ' 73' ' ' ASP . 44.4 mttm -63.35 -41.09 98.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.609 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.472 HG23 ' ND1' ' A' ' 107' ' ' HIS . 38.5 mt -66.05 -38.68 82.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.931 0.396 . . . . 0.0 110.751 178.791 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.747 HD11 ' HD3' ' A' ' 52' ' ' LYS . 4.5 tt -60.5 -52.03 66.91 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.103 179.569 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.499 ' OE1' HD22 ' A' ' 71' ' ' LEU . 5.0 mm-40 -68.83 -33.13 73.32 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.329 -178.356 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.884 ' HA ' ' HE3' ' A' ' 76' ' ' LYS . 0.8 OUTLIER -60.74 -40.86 93.97 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.451 178.67 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.488 ' O ' HG13 ' A' ' 78' ' ' ILE . 1.2 tp10 -60.41 -36.92 79.26 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.68 -175.247 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.401 ' HA ' HD12 ' A' ' 78' ' ' ILE . 65.6 mm-40 -66.53 -39.46 88.63 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.689 0.281 . . . . 0.0 110.944 174.304 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.884 ' HE3' ' HA ' ' A' ' 73' ' ' ASP . 5.2 mtmp? -62.54 -32.48 73.44 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.909 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 48.5 m170 -64.16 -47.68 78.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.582 0.706 . . . . 0.0 109.844 174.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.607 HG21 ' HE2' ' A' ' 45' ' ' LYS . 73.3 mt -57.75 -36.96 57.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 114.575 -1.193 . . . . 0.0 111.194 -177.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -54.19 -38.61 65.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.802 178.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.595 ' HZ2' ' HA ' ' A' ' 93' ' ' PHE . 23.0 t-105 -71.22 -53.89 12.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.786 0.327 . . . . 0.0 110.713 177.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 74.6 m-70 -59.98 -35.24 74.58 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.733 -176.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 58.3 tttm -72.72 -36.08 67.7 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.877 0.37 . . . . 0.0 110.46 177.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.06 -32.76 73.33 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.935 0.398 . . . . 0.0 110.892 179.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.74 -18.78 65.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.142 177.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 19.8 m -79.76 -13.29 59.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.151 0.501 . . . . 0.0 110.393 178.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 57.3 tptt -81.04 -54.19 5.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.738 177.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -176.15 166.25 2.89 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.48 176.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 151.53 -160.41 28.73 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.92 -0.657 . . . . 0.0 111.503 179.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -141.27 154.19 45.61 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 179.004 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -58.97 -34.86 72.29 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.133 -0.485 . . . . 0.0 112.289 -176.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -63.94 -50.0 70.36 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 121.091 -0.244 . . . . 0.0 111.526 -175.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -68.65 -35.07 76.77 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.178 0.513 . . . . 0.0 110.177 -179.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.595 ' HA ' ' HZ2' ' A' ' 80' ' ' TRP . 88.4 t80 -61.56 -52.29 65.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.342 178.312 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.81 -47.26 85.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.753 -177.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 30.9 m -60.38 -42.04 95.03 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.26 -178.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 9.5 mp -73.23 -33.06 65.11 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.771 0.285 . . . . 0.0 111.771 179.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 93' ' ' PHE . 58.5 t -64.68 -36.98 78.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.002 0.429 . . . . 0.0 110.135 175.648 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 23.9 tm0? -60.18 -33.46 72.25 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.171 176.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -68.87 -40.39 79.3 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 120.904 0.383 . . . . 0.0 110.462 174.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 7.9 t-160 -57.82 -37.76 74.36 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.585 176.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.572 HD21 ' HB3' ' A' ' 18' ' ' LEU . 3.3 mm? -60.08 -48.76 80.37 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.328 176.752 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.433 ' O ' ' HB2' ' A' ' 105' ' ' GLN . 54.9 mt-30 -64.83 -35.37 80.89 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 121.115 0.484 . . . . 0.0 110.817 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -66.28 -50.2 64.5 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.517 -179.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -69.51 -19.4 63.73 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.961 -0.296 . . . . 0.0 110.298 -177.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.55 ' HG3' ' O ' ' A' ' 101' ' ' LEU . 74.2 mt-30 -60.44 -46.97 88.12 Favored 'General case' 0 CA--C 1.517 -0.307 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 172.221 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 3.7 mmt180 -68.68 -32.18 71.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.497 177.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.623 ' O ' HG13 ' A' ' 111' ' ' ILE . 12.0 m170 -58.63 -50.9 72.16 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.998 0.428 . . . . 0.0 109.9 175.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 77.6 t -68.22 -43.55 84.7 Favored 'Isoleucine or valine' 0 C--O 1.236 0.382 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.717 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.461 ' HG2' ' O ' ' A' ' 105' ' ' GLN . 27.8 mm-40 -59.08 -35.69 73.81 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.741 0.305 . . . . 0.0 111.437 -178.491 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.22 -29.87 66.81 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.814 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.623 HG13 ' O ' ' A' ' 107' ' ' HIS . 18.3 mt -87.98 -73.1 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 N-CA-C 112.038 0.384 . . . . 0.0 112.038 -175.505 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.445 ' O ' ' HB2' ' A' ' 113' ' ' LYS . 43.9 mt-10 -64.28 -87.73 0.01 OUTLIER 'General case' 0 C--O 1.234 0.248 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 -167.48 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.445 ' HB2' ' O ' ' A' ' 112' ' ' GLU . 8.8 mtmp? 71.17 -54.79 0.66 Allowed 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 122.968 0.507 . . . . 0.0 111.899 -177.765 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -81.81 -2.57 51.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.014 0.435 . . . . 0.0 111.195 -177.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 11.2 m120 . . . . . 0 C--O 1.246 0.887 0 CA-C-O 118.36 -0.828 . . . . 0.0 109.965 -178.598 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.6 mtm . . . . . 0 N--CA 1.479 0.992 0 N-CA-C 110.465 -0.198 . . . . 0.0 110.465 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.2 t0 68.29 -171.97 0.19 Allowed 'General case' 0 C--O 1.233 0.23 0 O-C-N 123.931 0.77 . . . . 0.0 110.223 -179.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -133.77 -59.25 0.85 Allowed 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 -170.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 mm? 58.39 75.07 0.4 Allowed 'General case' 0 N--CA 1.468 0.475 0 CA-C-O 121.167 0.508 . . . . 0.0 111.066 -177.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -68.45 -49.8 57.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.247 -174.108 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.513 ' HA ' ' HG2' ' A' ' 9' ' ' LYS . 14.5 pt-20 -69.93 -32.22 70.38 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -171.215 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 63.2 mt -56.7 -37.41 70.86 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 121.163 -0.215 . . . . 0.0 111.488 -177.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 45.1 mt -65.6 -48.62 71.65 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.853 0.359 . . . . 0.0 111.005 177.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.513 ' HG2' ' HA ' ' A' ' 6' ' ' GLU . 22.4 pttp -71.5 -32.72 68.53 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.691 -0.403 . . . . 0.0 111.497 -177.022 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.61 -47.3 70.06 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.564 0.209 . . . . 0.0 111.564 -179.016 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -66.81 -50.06 63.81 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.063 0.458 . . . . 0.0 110.041 -179.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -61.46 -31.69 71.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.95 178.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.464 ' O ' HG13 ' A' ' 17' ' ' ILE . 9.4 tt0 -59.12 -46.17 89.02 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 177.664 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.504 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -60.57 -45.56 96.08 Favored Glycine 0 N--CA 1.448 -0.511 0 N-CA-C 111.321 -0.712 . . . . 0.0 111.321 177.002 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.573 ' HA ' HD12 ' A' ' 18' ' ' LEU . 71.8 mt -59.19 -42.46 86.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.791 0.329 . . . . 0.0 111.014 177.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -62.36 -40.93 98.04 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.978 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.497 HD13 ' HB3' ' A' ' 39' ' ' GLU . 62.0 mt -69.37 -36.4 71.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.392 177.583 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.573 HD12 ' HA ' ' A' ' 15' ' ' ILE . 98.4 mt -57.8 -37.33 73.55 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.53 175.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -58.74 -38.04 77.51 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.072 177.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -67.34 -40.18 85.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.241 177.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.499 HG21 HD11 ' A' ' 40' ' ' ILE . 58.0 t -61.96 -41.27 90.29 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.359 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.86 -179.644 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 96.3 mt -55.75 -41.32 73.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.778 0.323 . . . . 0.0 111.584 -178.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -73.81 -39.68 63.9 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.914 0.388 . . . . 0.0 111.719 179.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.661 ' HG2' ' HG2' ' A' ' 32' ' ' GLU . 1.5 mptm? -83.67 -15.87 47.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.977 -175.461 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.51 ' HB1' ' HB2' ' A' ' 94' ' ' ALA . . . -56.97 -37.08 71.08 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.629 0.252 . . . . 0.0 111.467 178.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -72.5 -19.97 61.44 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.986 0.422 . . . . 0.0 110.564 178.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -78.36 -53.65 7.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.975 178.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.0 18.7 64.55 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.959 -0.639 . . . . 0.0 112.91 177.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -71.35 125.06 25.99 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.894 0.378 . . . . 0.0 110.359 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.75 ' HG2' ' HG3' ' A' ' 87' ' ' GLN . 31.1 mt-10 -69.2 -38.73 78.77 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.674 -0.693 . . . . 0.0 111.879 -173.433 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -69.63 -43.29 72.98 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.977 0.417 . . . . 0.0 110.671 -178.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.661 ' HG2' ' HG2' ' A' ' 24' ' ' LYS . 6.5 tp10 -60.58 -49.23 78.35 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.002 173.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 33' ' ' LEU . 18.9 mt -61.02 -39.52 90.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.612 -179.513 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.9 -46.11 90.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.558 0.218 . . . . 0.0 110.926 179.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 36.0 ttt180 -63.18 -49.95 72.28 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-O 120.892 0.377 . . . . 0.0 111.236 178.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.489 ' O ' HG13 ' A' ' 40' ' ' ILE . 93.8 mt -62.77 -45.78 91.09 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.778 -176.237 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.474 ' O ' HG23 ' A' ' 41' ' ' VAL . 66.8 t30 -59.57 -47.68 84.61 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.14 -179.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -61.41 -45.74 93.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.753 -179.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.497 ' HB3' HD13 ' A' ' 17' ' ' ILE . 30.5 mt-10 -65.44 -36.25 83.35 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 121.114 -0.235 . . . . 0.0 111.414 -177.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.499 HD11 HG21 ' A' ' 21' ' ' VAL . 97.0 mt -60.61 -49.26 85.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 175.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 37' ' ' ASN . 90.1 t -55.45 -42.02 65.7 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.23 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 26.6 mtmm -62.69 -41.8 99.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.625 0.25 . . . . 0.0 110.999 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.14 -47.14 68.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.554 -178.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.453 ' O ' HG23 ' A' ' 48' ' ' VAL . 7.9 mm-40 -58.2 -46.76 85.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.28 178.51 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.539 ' HE2' HG21 ' A' ' 78' ' ' ILE . 62.5 mmtt -62.49 -39.98 95.22 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.952 -178.434 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.424 ' O ' HG23 ' A' ' 50' ' ' VAL . 58.3 tp60 -60.82 -44.37 97.01 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.881 -0.415 . . . . 0.0 109.881 179.609 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.7 -47.89 85.61 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.583 -0.818 . . . . 0.0 111.908 177.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.501 HG13 ' HG ' ' A' ' 71' ' ' LEU . 82.9 t -56.97 -44.01 81.79 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 CA-C-O 120.748 0.308 . . . . 0.0 110.983 179.062 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.7 tmtt? -57.73 -46.0 85.03 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.539 -178.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 46' ' ' GLN . 43.4 t -69.13 -42.91 81.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.743 179.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -59.04 -47.4 85.36 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.813 178.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.449 ' HB2' HD11 ' A' ' 71' ' ' LEU . 64.2 tttm -63.37 -44.02 95.98 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.917 0.389 . . . . 0.0 110.608 179.682 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -58.73 -47.35 84.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.902 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.01 -39.71 69.02 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.58 -179.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.35 -45.0 95.03 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -176.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -85.9 8.24 21.04 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.863 0.363 . . . . 0.0 111.132 -177.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -133.88 18.94 3.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.622 0.725 . . . . 0.0 109.355 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -84.99 172.38 11.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.428 -0.806 . . . . 0.0 111.234 -175.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 61.2 mtp180 -119.74 16.15 12.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.7 -178.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.465 ' HA ' ' HD3' ' A' ' 61' ' ' PRO . 28.5 t-20 -151.77 121.82 3.56 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.702 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' A' ' 60' ' ' ASN . 25.3 Cg_exo -63.57 -41.94 23.26 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 123.153 2.569 . . . . 0.0 113.205 -177.029 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.426 ' O ' ' HB3' ' A' ' 65' ' ' GLN . 6.7 tp10 -67.18 -40.51 86.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.079 0.466 . . . . 0.0 110.501 -174.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.482 ' HE2' ' HA ' ' A' ' 63' ' ' LYS . 0.1 OUTLIER -65.69 -38.87 90.45 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.755 177.599 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 19.0 ttp85 -61.34 -41.44 97.06 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.171 177.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.426 ' HB3' ' O ' ' A' ' 62' ' ' GLU . 0.7 OUTLIER -55.45 -43.65 75.62 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 123.732 0.813 . . . . 0.0 111.321 178.805 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 46.6 t -67.11 -46.56 84.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 120.86 0.362 . . . . 0.0 110.568 178.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 80.9 mt -61.54 -38.15 79.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.534 178.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -58.35 -46.64 85.88 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.495 178.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -66.02 -37.86 86.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.946 177.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.443 HD11 ' HG2' ' A' ' 110' ' ' GLU . 77.2 mt -61.81 -42.6 95.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 175.077 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.501 ' HG ' HG13 ' A' ' 48' ' ' VAL . 5.9 tt -63.35 -46.02 88.48 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.684 176.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -58.9 -41.76 88.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.376 179.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.516 ' HB3' ' CE1' ' A' ' 107' ' ' HIS . 43.1 t0 -68.98 -44.71 72.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.326 0.584 . . . . 0.0 110.438 178.273 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.498 ' HB3' HG22 ' A' ' 48' ' ' VAL . 2.5 tp10 -64.01 -39.88 95.09 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.346 -176.413 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.644 ' HA ' ' OE1' ' A' ' 75' ' ' GLU . 1.3 mm-40 -66.01 -35.1 79.66 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-O 120.916 0.388 . . . . 0.0 110.295 173.02 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.473 ' HB3' ' O ' ' A' ' 73' ' ' ASP . 88.1 tttt -60.96 -36.56 79.72 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.587 179.333 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.471 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 38.7 m170 -66.38 -48.53 69.84 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.632 0.729 . . . . 0.0 109.871 176.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.539 HG21 ' HE2' ' A' ' 45' ' ' LYS . 70.9 mt -58.86 -35.79 58.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 114.619 -1.173 . . . . 0.0 110.91 -178.445 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.522 ' HG3' ' O ' ' A' ' 75' ' ' GLU . 43.6 mt-10 -55.16 -41.04 71.33 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.551 0.215 . . . . 0.0 111.018 177.646 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 31.0 t-105 -68.24 -50.33 54.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.995 0.426 . . . . 0.0 110.544 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -63.79 -34.73 78.56 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.203 -179.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -72.4 -36.02 68.55 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.653 179.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.81 -29.86 68.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.718 178.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.09 -31.39 64.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.182 175.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 26.1 t 71.54 -62.21 0.46 Allowed 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.194 176.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -137.16 -60.2 0.68 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.928 0.394 . . . . 0.0 110.097 178.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.75 ' HG3' ' HG2' ' A' ' 30' ' ' GLU . 0.6 OUTLIER -149.77 167.05 27.6 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.058 -178.54 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -161.72 -130.88 1.16 Allowed Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.794 -0.717 . . . . 0.0 111.497 178.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -77.76 160.66 28.25 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 177.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -91.11 -78.05 0.4 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.751 0.649 . . . . 0.0 112.751 -170.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.04 -36.22 83.29 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 112.454 0.539 . . . . 0.0 112.454 -171.543 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -58.87 -49.79 76.43 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.893 0.377 . . . . 0.0 110.411 175.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.545 ' O ' HG23 ' A' ' 97' ' ' VAL . 81.2 t80 -62.24 -45.33 93.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.381 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.51 ' HB2' ' HB1' ' A' ' 25' ' ' ALA . . . -57.32 -43.0 82.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.212 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 42.8 m -59.7 -41.81 91.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.964 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 9.6 mp -72.32 -32.35 66.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.939 179.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 93' ' ' PHE . 96.4 t -62.41 -40.77 89.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.704 0.287 . . . . 0.0 110.233 175.353 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.455 ' HG3' ' O ' ' A' ' 94' ' ' ALA . 26.4 mt-30 -57.72 -35.32 70.5 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.829 0.347 . . . . 0.0 110.42 176.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 32.6 mm-40 -66.59 -40.04 88.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.09 177.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.471 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 4.9 t-160 -59.32 -41.03 88.14 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 177.579 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.536 HD21 ' HB3' ' A' ' 18' ' ' LEU . 3.6 mm? -59.29 -47.7 84.38 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.573 177.217 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 17.0 mm-40 -68.13 -37.92 81.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.351 0.596 . . . . 0.0 110.744 179.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -64.78 -49.31 71.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.054 -0.975 . . . . 0.0 112.287 -173.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.462 ' O ' HG23 ' A' ' 108' ' ' VAL . 17.0 mm-40 -62.71 -23.03 66.94 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -174.15 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.472 ' O ' ' HG2' ' A' ' 109' ' ' GLU . 77.0 mt-30 -60.71 -33.13 72.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.87 0.367 . . . . 0.0 110.328 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 10.2 mtp180 -64.25 -34.02 77.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.113 177.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.516 ' CE1' ' HB3' ' A' ' 73' ' ' ASP . 64.5 m170 -74.55 -40.77 61.48 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.963 -177.56 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.634 HG11 ' HA ' ' A' ' 114' ' ' LYS . 3.7 t -65.61 -36.14 76.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.255 178.488 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.472 ' HG2' ' O ' ' A' ' 105' ' ' GLN . 62.2 mm-40 -58.71 -37.65 76.58 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.897 177.452 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.443 ' HG2' HD11 ' A' ' 70' ' ' ILE . 15.7 tp10 -61.49 -39.59 91.5 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.718 0.294 . . . . 0.0 110.264 177.626 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.477 HG22 ' HG3' ' A' ' 112' ' ' GLU . 54.0 mt -66.52 -77.54 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.269 -0.423 . . . . 0.0 109.959 177.286 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.477 ' HG3' HG22 ' A' ' 111' ' ' ILE . 41.2 mt-10 -142.12 -81.34 0.22 Allowed 'General case' 0 N--CA 1.448 -0.575 0 CA-C-O 121.619 0.723 . . . . 0.0 110.199 178.313 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.88 154.87 40.97 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 178.646 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.634 ' HA ' HG11 ' A' ' 108' ' ' VAL . 53.8 mtmt -51.19 -67.12 0.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 O-C-N 123.605 0.566 . . . . 0.0 110.496 176.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.532 ' HB2' ' O ' ' A' ' 114' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.246 0.895 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 173.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.478 0.975 0 CA-C-O 120.696 0.284 . . . . 0.0 110.541 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -84.02 -46.21 12.27 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 175.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 54.46 93.57 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 114.378 -1.283 . . . . 0.0 113.446 169.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.9 mt -105.71 -17.01 14.52 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.466 176.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.564 ' HA ' HD12 ' A' ' 8' ' ' LEU . 71.6 mtp85 -69.95 -44.94 68.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.798 -176.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.85 -35.45 74.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.574 0.702 . . . . 0.0 109.818 176.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 42.8 tp -72.27 -31.34 65.67 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.211 -178.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.564 HD12 ' HA ' ' A' ' 5' ' ' ARG . 42.4 mt -59.7 -28.16 67.07 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -178.448 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -57.09 -33.37 67.22 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.478 -176.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.95 -47.17 87.65 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 120.745 0.307 . . . . 0.0 110.959 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.426 ' O ' HG13 ' A' ' 15' ' ' ILE . 6.2 mm-40 -63.04 -42.66 99.8 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.333 177.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 -62.54 -40.3 96.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.179 -178.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -65.67 -44.03 87.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.454 178.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.529 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -58.5 -46.28 93.36 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.771 -0.728 . . . . 0.0 111.712 176.64 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.542 ' HA ' HD12 ' A' ' 18' ' ' LEU . 80.5 mt -61.75 -39.43 83.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.564 0.221 . . . . 0.0 111.121 178.22 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -58.16 -47.01 84.69 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-O 120.988 0.423 . . . . 0.0 110.691 179.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.402 HD13 ' HB3' ' A' ' 39' ' ' GLU . 65.0 mt -65.56 -38.18 81.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.831 179.251 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.645 ' HB3' HD21 ' A' ' 101' ' ' LEU . 96.6 mt -58.27 -37.09 74.28 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.1 177.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.455 ' HG3' ' O ' ' A' ' 15' ' ' ILE . 65.2 mttm -57.55 -45.19 85.41 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.882 0.373 . . . . 0.0 110.832 178.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -67.54 -34.88 77.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.814 -177.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.771 HG21 HD11 ' A' ' 40' ' ' ILE . 86.4 t -63.34 -41.34 92.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.892 179.567 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 92.4 mt -58.61 -35.74 72.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.763 178.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -69.96 -47.92 60.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.407 179.016 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.425 ' HE2' ' HA ' ' A' ' 24' ' ' LYS . 0.2 OUTLIER -68.5 -26.64 65.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.267 -177.28 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.91 -46.29 88.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.014 178.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -71.79 -34.08 69.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.567 178.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -60.06 -36.46 77.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.442 173.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 81.59 44.97 7.56 Favored Glycine 0 N--CA 1.448 -0.536 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.671 176.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -116.35 111.72 20.48 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.103 -0.332 . . . . 0.0 110.103 178.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -69.81 -28.99 66.17 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.206 -176.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -70.0 -47.93 60.19 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.749 -177.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -64.19 -42.23 96.75 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 175.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 41.5 mt -58.44 -44.28 89.12 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.101 177.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.9 -43.54 92.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.672 0.272 . . . . 0.0 111.023 179.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.417 ' O ' ' HG2' ' A' ' 39' ' ' GLU . 6.0 ttp180 -64.34 -46.96 81.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.131 0.491 . . . . 0.0 110.29 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.412 ' O ' HG13 ' A' ' 40' ' ' ILE . 89.5 mt -65.2 -34.61 78.77 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.278 178.219 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.43 ' O ' HG23 ' A' ' 41' ' ' VAL . 67.0 t30 -61.06 -41.52 96.77 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.273 0.558 . . . . 0.0 109.629 176.116 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -59.24 -41.1 87.92 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.048 175.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.417 ' HG2' ' O ' ' A' ' 35' ' ' ARG . 13.9 mm-40 -63.87 -39.54 94.45 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.73 177.667 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.771 HD11 HG21 ' A' ' 21' ' ' VAL . 79.8 mt -62.77 -49.69 82.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.702 178.525 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 37' ' ' ASN . 85.2 t -56.87 -50.27 75.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.076 -177.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -63.15 -36.48 83.76 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 120.637 0.256 . . . . 0.0 111.093 -178.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.04 -47.42 71.43 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.814 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.499 ' O ' HG23 ' A' ' 48' ' ' VAL . 7.1 mm-40 -61.49 -45.36 94.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.327 177.416 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -59.5 -39.79 84.94 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 120.736 0.303 . . . . 0.0 111.135 178.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.45 -44.85 95.4 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 179.125 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.448 ' O ' ' HD2' ' A' ' 51' ' ' TYR . . . -64.78 -46.45 89.65 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.154 176.398 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 44' ' ' GLU . 76.6 t -53.91 -40.82 46.39 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.086 0 C-N-CA 122.378 0.271 . . . . 0.0 110.964 178.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -55.68 -49.91 71.67 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.898 178.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.7 t -69.72 -46.27 75.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.939 -178.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.455 ' HB3' ' HG ' ' A' ' 71' ' ' LEU . 38.1 m-85 -59.17 -46.33 88.68 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.109 179.197 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.58 ' HA ' HD11 ' A' ' 71' ' ' LEU . 39.9 ttmt -60.93 -43.3 98.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.962 0.41 . . . . 0.0 110.992 -178.624 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -67.52 -38.39 84.18 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.386 -178.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.76 -35.26 70.04 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.572 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.9 -47.6 82.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.004 0.431 . . . . 0.0 111.938 -177.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -86.84 17.68 3.91 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.989 -177.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.7 ttmm -143.95 13.73 1.68 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.181 -178.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.55 162.79 26.84 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.974 -172.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -70.5 -77.23 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.423 179.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -104.92 153.8 39.12 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.972 -175.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo -57.65 -28.21 80.58 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 123.255 2.636 . . . . 0.0 113.009 -179.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -61.45 -39.04 89.39 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.156 0.503 . . . . 0.0 110.613 178.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -67.36 -42.5 83.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.183 178.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.469 ' HD2' ' HB2' ' A' ' 68' ' ' ASP . 2.8 tmm_? -66.18 -37.07 84.72 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.021 -179.044 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -56.71 -46.15 81.44 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-O 120.966 0.412 . . . . 0.0 110.568 176.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.2 t -65.76 -49.77 75.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.214 179.107 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.416 HG23 ' HD1' ' A' ' 51' ' ' TYR . 78.3 mt -60.84 -45.99 97.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.351 -179.254 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.469 ' HB2' ' HD2' ' A' ' 64' ' ' ARG . 19.4 t70 -63.31 -47.49 82.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.918 -175.341 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.431 ' O ' ' HB2' ' A' ' 73' ' ' ASP . 23.9 pttm -70.34 -32.6 70.38 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.297 -0.561 . . . . 0.0 110.707 -177.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.5 ' O ' ' HG2' ' A' ' 74' ' ' GLU . 28.9 mt -70.62 -39.78 76.34 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.352 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 173.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.58 HD11 ' HA ' ' A' ' 52' ' ' LYS . 6.9 mt -56.77 -49.68 74.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.711 173.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -63.13 -35.57 80.73 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.316 -0.857 . . . . 0.0 109.503 177.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.532 ' O ' ' HB3' ' A' ' 76' ' ' LYS . 0.4 OUTLIER -69.79 -43.77 71.44 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.32 -179.388 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.5 ' HG2' ' O ' ' A' ' 70' ' ' ILE . 66.0 mm-40 -63.63 -41.58 98.25 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 121.079 -0.248 . . . . 0.0 110.466 -178.53 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -63.62 -34.57 78.12 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.457 0.646 . . . . 0.0 109.744 174.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.532 ' HB3' ' O ' ' A' ' 73' ' ' ASP . 34.8 ttmt -63.95 -40.3 96.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.118 -0.946 . . . . 0.0 110.175 175.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.527 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 29.9 m170 -64.87 -48.5 74.02 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 121.355 0.598 . . . . 0.0 109.809 178.204 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.408 HG13 ' O ' ' A' ' 74' ' ' GLU . 89.4 mt -60.53 -39.24 80.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 CA-C-N 115.021 -0.991 . . . . 0.0 110.926 -178.51 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -56.56 -33.5 66.2 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 120.796 0.331 . . . . 0.0 110.582 178.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 18.1 t-105 -71.13 -57.99 3.98 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.73 175.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -57.47 -32.43 66.95 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.229 0.538 . . . . 0.0 111.371 -178.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 53.6 tttt -65.39 -47.99 74.43 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.055 176.298 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.29 -33.35 69.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.95 0.405 . . . . 0.0 111.496 -178.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -74.36 -11.06 60.15 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.464 -179.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 31.8 t -66.4 -13.59 60.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.988 -175.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 48.7 mttp -112.49 14.96 20.31 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.999 -0.281 . . . . 0.0 110.807 178.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -117.17 121.08 40.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.021 0.438 . . . . 0.0 110.956 -176.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -84.35 64.74 4.21 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.011 177.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 38.7 t-20 -122.83 139.34 54.12 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 -177.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -114.95 -61.4 1.76 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -175.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -68.83 -48.31 63.86 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.894 0.378 . . . . 0.0 111.408 -173.058 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -68.99 -35.7 77.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.05 0.453 . . . . 0.0 110.262 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.526 ' O ' HG23 ' A' ' 97' ' ' VAL . 39.5 t80 -63.04 -48.63 77.9 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.313 174.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.538 ' O ' ' HG3' ' A' ' 98' ' ' GLN . . . -59.29 -39.36 82.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.171 179.361 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 30.4 m -57.21 -44.24 83.53 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.419 178.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 8.6 mp -72.72 -33.01 66.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.374 178.159 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 93' ' ' PHE . 84.9 t -62.78 -37.77 79.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.865 0.364 . . . . 0.0 110.247 175.248 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.538 ' HG3' ' O ' ' A' ' 94' ' ' ALA . 95.5 mt-30 -59.89 -33.21 71.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.565 177.081 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -64.03 -36.27 83.43 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.401 175.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.527 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 7.0 t-160 -64.34 -40.99 96.97 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 176.643 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.645 HD21 ' HB3' ' A' ' 18' ' ' LEU . 3.9 mm? -60.07 -48.56 81.22 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.915 176.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.423 ' HG2' ' O ' ' A' ' 98' ' ' GLN . 16.8 mm-40 -64.41 -35.89 82.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.218 0.532 . . . . 0.0 110.285 179.635 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -67.93 -49.74 60.07 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.879 -177.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -64.55 -20.73 66.41 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.707 0.289 . . . . 0.0 110.586 -177.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.545 ' HG3' ' O ' ' A' ' 101' ' ' LEU . 78.3 mt-30 -63.07 -46.93 85.13 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.498 175.479 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 21.1 ttt180 -65.42 -32.73 74.51 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.843 0.354 . . . . 0.0 110.249 177.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.449 ' O ' HG12 ' A' ' 111' ' ' ILE . 15.2 m170 -58.22 -44.07 88.02 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 177.383 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.598 HG11 ' HB3' ' A' ' 115' ' ' ASN . 59.4 t -69.28 -43.72 81.05 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.321 175.103 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.52 ' HG3' ' O ' ' A' ' 105' ' ' GLN . 48.4 mt-10 -57.8 -38.82 76.2 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -177.125 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -70.05 -27.51 64.71 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 122.199 -0.313 . . . . 0.0 111.517 179.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.449 HG12 ' O ' ' A' ' 107' ' ' HIS . 31.6 mm -83.87 -73.83 0.3 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 CA-C-O 120.719 0.295 . . . . 0.0 111.525 179.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.4 ' O ' ' HB2' ' A' ' 113' ' ' LYS . 9.5 pt-20 -105.01 20.82 18.18 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -173.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 112' ' ' GLU . 74.3 mmtt 76.27 -47.54 0.56 Allowed 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 112.594 0.59 . . . . 0.0 112.594 175.065 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 11.7 tttm -166.85 136.62 3.01 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.297 0.094 . . . . 0.0 110.878 -177.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.598 ' HB3' HG11 ' A' ' 108' ' ' VAL . 5.4 p-10 . . . . . 0 C--O 1.246 0.92 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 171.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.7 ttp . . . . . 0 N--CA 1.478 0.974 0 CA-C-O 121.063 0.459 . . . . 0.0 110.333 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -137.17 111.19 8.3 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 176.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -117.73 32.11 6.34 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 121.435 0.636 . . . . 0.0 110.106 -177.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.403 ' O ' ' HG ' ' A' ' 8' ' ' LEU . 42.0 tp -148.52 -65.35 0.24 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.957 -179.348 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.17 -37.9 88.82 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 111.721 0.267 . . . . 0.0 111.721 -169.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -66.13 -35.48 80.6 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.864 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 95.3 mt -73.13 -42.66 62.64 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.87 0.367 . . . . 0.0 110.36 175.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 4' ' ' LEU . 87.2 mt -59.92 -28.64 67.77 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.449 178.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 43.5 tttp -56.44 -34.89 67.26 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.388 -174.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.24 -47.06 68.8 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.104 -179.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -68.32 -40.07 81.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.159 0.504 . . . . 0.0 109.903 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -63.82 -39.37 94.08 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.058 178.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -63.99 -41.13 97.6 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.482 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.518 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -58.83 -46.46 93.5 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.898 177.145 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.402 ' HA ' HD12 ' A' ' 18' ' ' LEU . 64.6 mt -63.34 -39.56 85.73 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 CA-C-O 120.94 0.4 . . . . 0.0 110.594 178.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.0 tmtm? -56.42 -46.04 80.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.646 177.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.525 HD13 ' HB3' ' A' ' 39' ' ' GLU . 75.1 mt -65.99 -40.79 88.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.65 178.351 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.536 ' HB3' HD21 ' A' ' 101' ' ' LEU . 95.7 mt -57.81 -36.9 72.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.083 178.643 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 30.3 mmtp -60.56 -44.32 96.29 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 120.772 0.32 . . . . 0.0 110.897 177.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -62.76 -33.45 75.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.042 -179.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.575 ' HA ' HD13 ' A' ' 36' ' ' LEU . 60.5 t -59.08 -42.01 85.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.802 -179.407 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 87.3 mt -58.46 -41.1 84.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.698 179.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.2 mmmt -73.1 -46.98 48.24 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.586 178.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.726 ' HD3' ' HB3' ' A' ' 32' ' ' GLU . 68.8 mttm -69.7 -26.82 64.54 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.901 -173.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.94 -34.42 78.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.1 0.476 . . . . 0.0 110.105 174.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -72.36 -32.81 66.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.812 178.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -64.89 -28.48 69.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.2 177.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 77.18 17.35 79.65 Favored Glycine 0 N--CA 1.45 -0.372 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.86 175.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -95.38 114.58 26.37 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.882 0.372 . . . . 0.0 110.184 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -72.56 -21.52 61.14 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.02 -0.537 . . . . 0.0 112.251 -176.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -68.16 -43.23 78.69 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 177.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.726 ' HB3' ' HD3' ' A' ' 24' ' ' LYS . 63.2 mm-40 -60.95 -43.09 99.18 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.048 174.386 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.411 ' HA ' HD12 ' A' ' 36' ' ' LEU . 84.8 mt -61.06 -45.39 94.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.305 179.516 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.86 -42.5 99.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.08 0.467 . . . . 0.0 110.331 177.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 34.8 ttt180 -59.0 -46.82 87.21 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.678 176.3 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.6 HD21 ' HD2' ' A' ' 24' ' ' LYS . 80.3 mt -58.95 -46.31 88.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.346 -178.465 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.456 ' O ' HG23 ' A' ' 41' ' ' VAL . 5.9 t30 -62.23 -41.24 98.22 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 -177.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.51 -47.81 82.32 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.395 175.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.525 ' HB3' HD13 ' A' ' 17' ' ' ILE . 5.8 mm-40 -59.81 -41.81 92.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.134 179.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.471 HG13 ' O ' ' A' ' 36' ' ' LEU . 94.5 mt -60.15 -49.8 82.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.608 178.158 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 37' ' ' ASN . 89.2 t -56.27 -46.1 81.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.01 0.433 . . . . 0.0 110.614 178.24 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 52.3 mtpt -61.69 -42.91 99.57 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.467 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.55 -47.13 61.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.552 -0.294 . . . . 0.0 111.494 -179.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.471 ' O ' HG23 ' A' ' 48' ' ' VAL . 6.0 mm-40 -58.84 -46.28 88.06 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.479 -179.542 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.406 ' CG ' HD13 ' A' ' 78' ' ' ILE . 27.0 mtpp -69.4 -30.95 69.02 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 116.712 -0.222 . . . . 0.0 111.39 -179.62 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -60.29 -40.95 92.29 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 175.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -68.16 -45.87 68.62 Favored Glycine 0 N--CA 1.446 -0.638 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.744 174.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 44' ' ' GLU . 63.4 t -53.83 -40.93 46.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.77 0.319 . . . . 0.0 111.196 178.453 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.406 ' HB2' ' HE3' ' A' ' 49' ' ' LYS . 37.5 ttmt -58.23 -51.52 69.41 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.206 -177.119 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.8 m -73.3 -41.15 57.7 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.235 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 178.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.526 ' HB2' HD23 ' A' ' 71' ' ' LEU . 10.8 m-85 -66.48 -37.96 86.25 Favored 'General case' 0 C--O 1.226 -0.166 0 N-CA-C 111.556 0.206 . . . . 0.0 111.556 -176.224 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.551 ' HA ' ' HG ' ' A' ' 71' ' ' LEU . 55.1 tttp -63.08 -37.41 87.09 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.0 0.428 . . . . 0.0 110.141 -179.125 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -67.24 -43.02 83.01 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.219 176.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.71 -32.99 71.87 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.487 -178.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.15 -42.1 94.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.854 0.359 . . . . 0.0 111.277 -179.052 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -81.16 -12.92 59.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.053 -178.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.5 ttpt -125.22 28.65 6.29 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.423 0.63 . . . . 0.0 110.197 -174.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.64 ' HB3' ' HG3' ' A' ' 64' ' ' ARG . . . -78.37 157.88 28.94 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.348 179.157 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 52.0 mtt180 -101.79 -59.16 1.75 Allowed 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.872 -174.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -83.65 128.02 65.44 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.001 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -59.9 -38.5 78.79 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 123.066 2.511 . . . . 0.0 113.231 -174.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -63.56 -45.27 91.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.961 0.41 . . . . 0.0 110.515 -177.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 32.8 mmtm -75.8 -28.01 58.17 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.305 176.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.64 ' HG3' ' HB3' ' A' ' 58' ' ' ALA . 29.8 ttt180 -57.73 -46.21 84.75 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 175.531 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.11 -43.17 95.8 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.858 177.095 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 77.8 t -58.74 -53.66 44.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.313 178.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 70.3 mt -62.27 -42.47 95.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.712 -178.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -60.08 -47.07 87.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.771 179.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.56 ' HE3' ' HA ' ' A' ' 69' ' ' LYS . 0.1 OUTLIER -64.12 -45.27 89.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.847 -177.142 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.537 HG23 ' ND1' ' A' ' 107' ' ' HIS . 50.8 mt -66.94 -38.23 80.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.951 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.551 ' HG ' ' HA ' ' A' ' 52' ' ' LYS . 2.8 tm? -58.68 -50.05 75.32 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.44 177.227 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -68.69 -35.8 77.66 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.073 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.48 ' HB3' ' CE1' ' A' ' 107' ' ' HIS . 0.5 OUTLIER -62.06 -42.65 99.41 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 121.221 0.534 . . . . 0.0 110.299 178.391 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -60.51 -39.11 86.59 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.098 -0.956 . . . . 0.0 110.482 -176.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.444 ' HA ' HD12 ' A' ' 78' ' ' ILE . 19.7 mm-40 -67.68 -35.84 79.58 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 120.729 0.299 . . . . 0.0 110.998 174.655 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -64.57 -34.03 77.29 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.614 0.245 . . . . 0.0 110.86 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.412 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 45.2 m170 -61.67 -47.24 86.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.69 0.757 . . . . 0.0 109.467 175.553 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.576 HG22 ' HE3' ' A' ' 82' ' ' LYS . 48.6 mt -61.39 -38.41 79.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 114.778 -1.101 . . . . 0.0 110.421 178.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.478 ' HA ' ' OE1' ' A' ' 79' ' ' GLU . 9.3 mm-40 -56.74 -43.28 80.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.464 175.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.485 ' CZ2' HD13 ' A' ' 96' ' ' LEU . 21.5 t-105 -65.06 -53.88 38.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.733 176.383 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 53.7 m-70 -59.27 -36.67 75.93 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -177.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.576 ' HE3' HG22 ' A' ' 78' ' ' ILE . 10.6 mtmp? -68.78 -36.24 78.05 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.689 177.663 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.83 -35.23 72.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.039 0.447 . . . . 0.0 110.716 176.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.21 -12.14 60.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.515 179.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 48.8 m -61.91 143.23 56.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.688 -179.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 8.6 mtpm? 69.94 10.33 7.41 Favored 'General case' 0 N--CA 1.463 0.213 0 O-C-N 123.912 0.758 . . . . 0.0 111.788 177.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 46.7 tp60 -123.58 83.57 2.15 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 174.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -75.82 120.31 5.95 Favored Glycine 0 N--CA 1.452 -0.281 0 CA-C-N 115.815 -0.63 . . . . 0.0 113.395 -173.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 50.7 m-80 -138.34 164.8 28.37 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 176.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -121.29 -65.05 1.17 Allowed 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.954 -0.298 . . . . 0.0 111.566 179.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -63.44 -47.52 81.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.876 0.37 . . . . 0.0 111.702 -174.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -68.16 -39.02 82.69 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.512 0.672 . . . . 0.0 109.905 177.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.552 ' O ' HG13 ' A' ' 97' ' ' VAL . 70.8 t80 -61.52 -49.82 75.17 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.803 -1.089 . . . . 0.0 111.006 -177.204 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.578 ' HA ' HG22 ' A' ' 97' ' ' VAL . . . -66.12 -24.84 66.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.749 0.309 . . . . 0.0 111.646 -177.238 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.462 ' HA ' HE21 ' A' ' 98' ' ' GLN . 52.5 m -72.41 -42.05 65.58 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.137 0.494 . . . . 0.0 109.966 173.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.485 HD13 ' CZ2' ' A' ' 80' ' ' TRP . 94.3 mt -72.87 -33.74 66.28 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.704 -178.061 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.578 HG22 ' HA ' ' A' ' 94' ' ' ALA . 32.6 m -63.54 -35.21 71.74 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 CA-C-O 120.732 0.301 . . . . 0.0 110.83 178.527 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.462 HE21 ' HA ' ' A' ' 95' ' ' SER . 43.3 mt-30 -57.64 -32.19 67.01 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.289 177.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.67 -42.75 99.79 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 177.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.412 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 5.6 t-160 -66.9 -41.67 86.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.716 178.421 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.536 HD21 ' HB3' ' A' ' 18' ' ' LEU . 3.8 mm? -59.21 -48.37 81.88 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.52 178.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -67.39 -36.04 80.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.071 0.462 . . . . 0.0 110.653 179.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -62.88 -48.99 76.61 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.547 -178.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.446 ' O ' HG23 ' A' ' 108' ' ' VAL . 20.5 mm-40 -66.82 -27.61 67.7 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 121.008 -0.277 . . . . 0.0 110.59 -178.217 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.577 ' O ' ' HG3' ' A' ' 109' ' ' GLU . 77.4 mt-30 -66.89 -39.08 87.37 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 173.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.96 -38.72 89.56 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.142 172.424 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.606 ' O ' HG13 ' A' ' 111' ' ' ILE . 17.2 m170 -59.88 -49.81 76.24 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.071 175.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 104' ' ' GLU . 94.1 t -61.67 -40.99 88.66 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.367 -179.557 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.577 ' HG3' ' O ' ' A' ' 105' ' ' GLN . 50.8 mt-10 -56.99 -45.29 83.1 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-O 121.19 0.519 . . . . 0.0 110.335 177.2 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -70.04 -29.26 66.24 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.327 -0.852 . . . . 0.0 110.71 -176.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.606 HG13 ' O ' ' A' ' 107' ' ' HIS . 57.7 mt -81.55 -67.16 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.971 0.415 . . . . 0.0 111.265 178.472 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.46 ' O ' ' HB3' ' A' ' 113' ' ' LYS . 36.8 mt-10 -84.22 -55.31 4.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.582 -172.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.46 ' HB3' ' O ' ' A' ' 112' ' ' GLU . 43.5 tttm 72.75 -41.1 0.49 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.57 0.748 . . . . 0.0 111.746 -177.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -90.32 24.22 2.64 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.073 0.463 . . . . 0.0 110.947 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 43.2 t30 . . . . . 0 C--O 1.244 0.81 0 CA-C-O 118.781 -0.628 . . . . 0.0 110.163 178.721 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.2 mtt . . . . . 0 N--CA 1.483 1.183 0 CA-C-O 120.762 0.315 . . . . 0.0 110.8 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -73.24 97.0 2.35 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.964 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -122.72 80.32 1.73 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.717 176.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.404 HD12 ' N ' ' A' ' 4' ' ' LEU . 6.1 mp -94.8 40.85 1.09 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.893 -175.372 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.536 ' O ' ' HG3' ' A' ' 9' ' ' LYS . 85.2 mtt180 -60.68 -50.75 72.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.193 -176.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -67.96 -34.68 77.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.008 0.433 . . . . 0.0 110.674 -178.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.578 ' HB3' ' HE1' ' A' ' 51' ' ' TYR . 53.5 mt -69.43 -39.8 77.62 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.74 -177.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -70.7 -38.17 73.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.013 178.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.536 ' HG3' ' O ' ' A' ' 5' ' ' ARG . 53.5 mtpt -59.33 -31.47 69.2 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.312 178.389 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.88 -44.69 86.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.686 0.279 . . . . 0.0 111.098 177.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -66.21 -40.87 90.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.832 0.349 . . . . 0.0 110.524 176.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -62.61 -33.88 75.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.548 177.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.438 ' O ' HG13 ' A' ' 17' ' ' ILE . 25.3 tp60 -62.12 -45.26 94.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.169 177.201 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.635 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -62.02 -46.59 93.75 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.806 -0.712 . . . . 0.0 111.647 177.604 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 82.6 mt -60.16 -43.05 92.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.743 0.306 . . . . 0.0 110.732 178.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.3 tmtm? -56.54 -44.49 80.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.514 177.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.548 ' O ' HG23 ' A' ' 21' ' ' VAL . 69.9 mt -68.66 -42.91 83.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.877 178.269 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.635 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 93.4 mt -57.26 -37.43 72.33 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.959 -179.648 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.598 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 98.9 mttt -57.73 -42.22 83.4 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 121.08 0.467 . . . . 0.0 111.055 176.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -75.22 -32.7 61.22 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.981 -179.209 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.58 HG21 HD11 ' A' ' 40' ' ' ILE . 87.9 t -59.67 -44.98 94.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.992 178.67 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.598 ' HG ' ' O ' ' A' ' 19' ' ' LYS . 4.4 pp -64.45 -34.74 78.9 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.59 179.442 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -63.69 -47.71 80.06 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 121.282 0.563 . . . . 0.0 109.943 175.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.46 ' HD3' ' HA ' ' A' ' 24' ' ' LYS . 69.7 mmtt -72.27 -21.16 61.41 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.605 -176.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.84 -33.37 70.59 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.949 0.404 . . . . 0.0 110.513 175.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -72.76 -30.83 64.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.255 0.55 . . . . 0.0 110.439 176.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -78.08 -33.56 50.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.794 178.164 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.63 39.91 47.81 Favored Glycine 0 N--CA 1.448 -0.521 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 -175.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -94.53 100.51 12.47 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 -176.279 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -60.42 -41.47 94.02 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.61 -176.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -60.99 -50.67 72.45 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 -176.193 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.408 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 18.2 mm-40 -71.47 -38.56 71.24 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.258 -179.322 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.463 HD22 ' CE2' ' A' ' 93' ' ' PHE . 31.1 mt -59.52 -45.7 91.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.559 0.218 . . . . 0.0 110.863 177.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.63 -44.46 90.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.872 0.368 . . . . 0.0 110.562 178.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.453 HH11 ' HD3' ' A' ' 35' ' ' ARG . 24.5 ttm-85 -59.68 -49.09 79.11 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.125 178.067 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.558 ' O ' HG13 ' A' ' 40' ' ' ILE . 90.7 mt -63.67 -45.08 91.73 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.754 -179.202 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.428 ' O ' HG23 ' A' ' 41' ' ' VAL . 7.6 t30 -59.86 -40.28 88.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.168 0.509 . . . . 0.0 110.199 179.204 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -66.76 -42.73 85.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.571 177.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.503 ' HA ' ' HG2' ' A' ' 42' ' ' LYS . 0.3 OUTLIER -70.57 -30.72 67.5 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.46 -179.579 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.58 HD11 HG21 ' A' ' 21' ' ' VAL . 83.2 mt -56.97 -49.56 78.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 172.378 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 37' ' ' ASN . 61.9 t -54.8 -40.17 51.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.928 177.803 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.503 ' HG2' ' HA ' ' A' ' 39' ' ' GLU . 37.5 mmtm -58.09 -48.02 81.45 Favored 'General case' 0 CA--C 1.528 0.106 0 CA-C-O 120.907 0.384 . . . . 0.0 110.428 179.134 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.3 -46.45 64.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.413 -176.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.503 ' O ' HG23 ' A' ' 48' ' ' VAL . 7.7 mm-40 -58.84 -46.38 87.85 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.594 -179.32 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.574 ' HE2' HG21 ' A' ' 78' ' ' ILE . 62.3 mmtt -65.51 -37.48 86.89 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.221 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.405 ' O ' HG22 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -60.44 -45.35 93.98 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 177.886 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -66.27 -47.16 73.74 Favored Glycine 0 N--CA 1.448 -0.545 0 CA-C-N 115.547 -0.751 . . . . 0.0 112.559 178.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.542 HG22 ' HB3' ' A' ' 74' ' ' GLU . 81.0 t -58.14 -41.96 82.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.934 0.367 . . . . 0.0 111.211 -179.643 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -63.66 -50.17 70.31 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.017 -176.16 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.405 HG22 ' O ' ' A' ' 46' ' ' GLN . 25.4 m -70.87 -34.44 55.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 111.666 0.247 . . . . 0.0 111.666 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.578 ' HE1' ' HB3' ' A' ' 7' ' ' LEU . 11.4 m-30 -65.51 -37.23 86.16 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.461 0.172 . . . . 0.0 110.923 179.602 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 48.7 tttm -57.51 -44.5 85.09 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.704 0.287 . . . . 0.0 110.703 178.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -69.48 -42.17 75.18 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.999 0.428 . . . . 0.0 110.238 177.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.92 -32.5 72.91 Favored 'General case' 0 C--O 1.225 -0.194 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.439 -179.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.04 -32.87 72.47 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.424 178.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -90.92 -11.9 37.69 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.993 0.425 . . . . 0.0 110.654 -179.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 54.0 mttp -109.76 21.18 17.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.358 176.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.91 -29.27 69.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.767 -174.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.545 ' HD3' ' O ' ' A' ' 59' ' ' ARG . 3.9 tmt_? 78.21 -23.78 0.24 Allowed 'General case' 0 N--CA 1.468 0.439 0 O-C-N 123.699 0.624 . . . . 0.0 111.351 172.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.467 ' HB3' ' HD3' ' A' ' 63' ' ' LYS . 21.4 t-20 -144.44 135.35 12.34 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 122.314 -0.241 . . . . 0.0 110.703 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -56.42 -38.36 95.41 Favored 'Trans proline' 0 CA--C 1.533 0.442 0 C-N-CA 123.633 2.889 . . . . 0.0 114.318 -176.216 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -69.49 -44.37 71.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.807 0.336 . . . . 0.0 110.876 -175.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.467 ' HD3' ' HB3' ' A' ' 60' ' ' ASN . 7.3 ptmm? -75.87 -26.44 57.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.925 0.393 . . . . 0.0 110.35 177.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -58.55 -44.13 89.56 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 174.204 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 24.9 tm0? -56.99 -42.32 80.05 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.896 179.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.568 HG13 ' HG3' ' A' ' 110' ' ' GLU . 87.2 t -59.02 -49.98 81.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.01 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 49.2 mm -65.44 -45.75 92.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.794 -179.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -63.24 -37.92 89.14 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.408 -178.327 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -60.73 -46.28 91.02 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.102 0.477 . . . . 0.0 111.135 178.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 16.1 mt -72.19 -37.15 58.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.109 178.538 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -54.76 -41.81 70.92 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 175.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -64.69 -47.37 78.62 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.944 175.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.553 ' HB3' ' CE1' ' A' ' 107' ' ' HIS . 0.4 OUTLIER -71.24 -39.05 71.9 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.914 -173.357 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.542 ' HB3' HG22 ' A' ' 48' ' ' VAL . 3.2 tp10 -66.81 -34.4 77.72 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.607 -173.435 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.507 ' HA ' ' OE1' ' A' ' 75' ' ' GLU . 1.3 mm-40 -67.87 -34.64 77.06 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 121.376 0.607 . . . . 0.0 110.222 172.345 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.531 ' HB3' ' O ' ' A' ' 73' ' ' ASP . 87.7 tttt -61.29 -33.89 74.3 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.686 178.429 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 51.8 m170 -68.99 -48.11 63.9 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.262 0.553 . . . . 0.0 110.712 179.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.574 HG21 ' HE2' ' A' ' 45' ' ' LYS . 57.9 mt -59.57 -48.89 85.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.053 -174.782 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.473 ' HA ' ' HD3' ' A' ' 82' ' ' LYS . 73.4 mm-40 -58.47 -32.7 69.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.982 178.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 10.0 t-105 -68.67 -49.6 57.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.675 -0.239 . . . . 0.0 110.485 179.116 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 44.1 m-70 -61.9 -32.36 72.73 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-O 120.703 0.287 . . . . 0.0 111.772 176.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.473 ' HD3' ' HA ' ' A' ' 79' ' ' GLU . 52.3 mtpt -62.04 -47.34 85.18 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.848 0.356 . . . . 0.0 110.687 175.434 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.11 -30.44 68.72 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.324 -179.148 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.54 -11.46 60.03 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -174.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 77.9 p -77.87 64.49 3.12 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 121.321 0.581 . . . . 0.0 111.491 -176.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.404 ' HA ' ' HD3' ' A' ' 86' ' ' LYS . 37.2 mmtm -138.52 154.69 48.78 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.302 178.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -66.72 143.94 56.65 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.192 -177.014 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 103.6 -12.26 53.94 Favored Glycine 0 N--CA 1.448 -0.509 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.568 -177.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -84.94 86.13 7.41 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.812 0.339 . . . . 0.0 110.575 -177.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -125.64 -71.78 0.69 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.344 177.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -58.75 -39.32 80.58 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.347 0.594 . . . . 0.0 110.356 176.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.518 ' O ' ' HG ' ' A' ' 96' ' ' LEU . 2.2 mp0 -68.04 -38.22 82.24 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.549 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.463 ' CE2' HD22 ' A' ' 33' ' ' LEU . 0.9 OUTLIER -62.97 -37.63 87.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.206 -177.682 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.414 ' O ' ' HG3' ' A' ' 98' ' ' GLN . . . -60.73 -30.46 69.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.991 176.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 22.4 t -84.67 -36.48 21.89 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.906 0.384 . . . . 0.0 110.6 177.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 92' ' ' GLN . 89.5 mt -65.69 -38.41 89.15 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.282 -177.695 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 14.7 p -62.48 -34.76 66.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.4 178.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.414 ' HG3' ' O ' ' A' ' 94' ' ' ALA . 90.5 mt-30 -57.46 -44.05 84.51 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.362 178.227 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -65.52 -42.97 91.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.844 -175.009 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -68.58 -42.33 78.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.841 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.409 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 55.3 tp -61.16 -48.37 81.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.754 -179.027 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -66.81 -34.77 78.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.567 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -65.01 -49.92 68.31 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.641 -179.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -66.32 -22.34 66.28 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 120.508 0.194 . . . . 0.0 110.509 -177.278 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.409 ' HG3' ' O ' ' A' ' 101' ' ' LEU . 78.1 mt-30 -61.61 -46.36 90.15 Favored 'General case' 0 C--N 1.333 -0.136 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 172.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.5 -33.77 76.31 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.341 175.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.553 ' CE1' ' HB3' ' A' ' 73' ' ' ASP . 12.3 m170 -60.6 -49.79 76.13 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.17 0.509 . . . . 0.0 110.286 177.258 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 85.8 t -67.69 -37.97 79.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.719 179.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.406 ' HG3' ' O ' ' A' ' 105' ' ' GLN . 47.9 mt-10 -57.39 -34.06 68.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.977 174.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.568 ' HG3' HG13 ' A' ' 66' ' ' VAL . 5.9 tp10 -69.75 -45.13 68.79 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.042 -178.723 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.492 HG13 ' O ' ' A' ' 107' ' ' HIS . 0.9 OUTLIER -93.38 -65.62 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.291 0.567 . . . . 0.0 112.247 -174.291 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.403 ' O ' ' HB2' ' A' ' 113' ' ' LYS . 5.1 tm-20 -65.33 -65.2 0.7 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.715 -166.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.403 ' HB2' ' O ' ' A' ' 112' ' ' GLU . 42.4 mttp 71.65 4.42 5.04 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 113.711 1.004 . . . . 0.0 113.711 172.492 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -104.78 -52.15 2.92 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.103 0.477 . . . . 0.0 110.11 178.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 . . . . . 0 C--O 1.25 1.1 0 CA-C-N 115.245 -0.888 . . . . 0.0 110.67 177.745 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.8 ttp . . . . . 0 N--CA 1.483 1.186 0 CA-C-O 120.384 0.135 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.425 ' CG ' HH21 ' A' ' 59' ' ' ARG . 12.6 t70 63.24 73.84 0.44 Allowed 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.416 0.627 . . . . 0.0 109.908 179.776 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -159.09 147.35 17.96 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.119 -175.32 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.2 mp -118.68 -27.55 5.84 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.688 0.28 . . . . 0.0 111.572 -175.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -68.26 -37.37 80.66 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -174.498 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -58.32 -35.58 72.1 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.895 0.378 . . . . 0.0 110.84 175.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.662 ' HG ' HG23 ' A' ' 50' ' ' VAL . 6.8 mp -71.36 -42.95 67.82 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.067 179.587 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -65.88 -39.97 91.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.498 -0.773 . . . . 0.0 110.018 179.542 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -61.72 -41.84 98.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.558 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.94 -41.64 91.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.691 0.281 . . . . 0.0 110.846 179.339 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -61.29 -44.29 97.46 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-O 121.197 0.522 . . . . 0.0 109.789 177.016 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 71.5 mm-40 -61.88 -38.9 90.03 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.139 177.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.47 ' O ' HG13 ' A' ' 17' ' ' ILE . 48.9 mt-30 -61.3 -44.76 96.68 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.028 179.428 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.632 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -59.9 -46.5 94.01 Favored Glycine 0 C--N 1.332 0.358 0 C-N-CA 120.673 -0.775 . . . . 0.0 111.82 177.573 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.557 ' HA ' HD12 ' A' ' 18' ' ' LEU . 79.1 mt -58.61 -42.13 84.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.033 0.444 . . . . 0.0 111.121 179.088 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 31.0 ttmt -65.14 -41.35 94.88 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.895 -177.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 13' ' ' GLN . 58.1 mt -69.06 -33.45 58.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.567 178.259 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.632 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 86.9 mt -57.05 -37.56 71.98 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.213 178.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -66.92 -37.34 84.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.909 0.385 . . . . 0.0 110.839 179.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -62.79 -36.9 84.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.018 178.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.483 HG11 HG21 ' A' ' 97' ' ' VAL . 64.9 t -60.47 -41.56 88.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.643 178.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 48.4 mt -62.89 -38.11 89.59 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.589 -179.05 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -71.99 -48.03 47.72 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.172 179.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.44 -26.6 61.9 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.84 -174.736 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.23 -36.29 79.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.976 0.417 . . . . 0.0 110.516 176.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -71.9 -34.5 69.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.491 177.214 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -67.08 -31.53 72.08 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.212 175.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 84.89 35.14 13.37 Favored Glycine 0 N--CA 1.449 -0.447 0 CA-C-N 115.772 -0.649 . . . . 0.0 113.4 172.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -109.9 128.98 55.69 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.863 0.363 . . . . 0.0 110.503 176.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -89.95 -24.0 21.41 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.191 -175.196 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -61.96 -46.79 87.72 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 174.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.461 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 20.2 mm-40 -60.95 -45.57 94.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.743 174.322 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 50.9 mt -58.88 -41.94 88.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.442 -179.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.76 -45.86 87.93 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 120.748 0.309 . . . . 0.0 110.479 178.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 51.7 ttm-85 -60.25 -49.12 78.86 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.047 177.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.506 ' O ' HG13 ' A' ' 40' ' ' ILE . 96.0 mt -62.71 -42.89 99.88 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.712 -178.244 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.453 ' O ' HG23 ' A' ' 41' ' ' VAL . 25.7 t-20 -56.02 -48.71 75.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.139 178.232 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.48 -48.18 80.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.032 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -65.48 -32.42 74.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.682 -0.236 . . . . 0.0 111.382 -176.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.566 ' O ' ' HG2' ' A' ' 44' ' ' GLU . 80.1 mt -62.37 -49.51 83.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 174.243 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 37' ' ' ASN . 83.9 t -57.69 -40.66 76.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.721 179.263 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -59.36 -45.63 90.89 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.075 177.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.78 -47.06 70.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.979 -178.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.566 ' HG2' ' O ' ' A' ' 40' ' ' ILE . 6.3 mm-40 -58.99 -47.24 85.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.646 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.528 ' HG2' HD13 ' A' ' 78' ' ' ILE . 13.6 mmtm -65.69 -37.15 85.66 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.407 -179.344 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 27.6 tp60 -60.82 -41.72 96.3 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 177.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -68.78 -47.42 55.68 Favored Glycine 0 N--CA 1.444 -0.794 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.993 176.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.56 HG12 ' HE2' ' A' ' 52' ' ' LYS . 62.9 t -53.86 -42.4 52.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.767 0.283 . . . . 0.0 111.188 179.762 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -65.93 -46.76 77.06 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 121.085 -0.246 . . . . 0.0 111.309 -178.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.662 HG23 ' HG ' ' A' ' 7' ' ' LEU . 28.8 m -70.46 -32.56 50.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 120.859 -0.336 . . . . 0.0 111.417 -179.327 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.47 ' CD1' HD23 ' A' ' 7' ' ' LEU . 31.3 m-85 -64.93 -42.93 94.25 Favored 'General case' 0 CA--C 1.522 -0.129 0 CA-C-O 120.766 0.317 . . . . 0.0 110.355 174.277 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.56 ' HE2' HG12 ' A' ' 48' ' ' VAL . 43.9 mtmt -59.24 -42.27 90.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.02 177.235 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -59.66 -46.88 87.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.558 179.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.16 -33.09 67.44 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.937 -178.27 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.26 -47.69 84.88 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -175.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -86.33 7.94 23.49 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.872 0.367 . . . . 0.0 111.774 -176.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 39.1 tttm -139.65 23.5 2.47 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.234 0.54 . . . . 0.0 109.736 -179.091 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.24 155.6 40.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.771 -0.65 . . . . 0.0 112.12 -174.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.425 HH21 ' CG ' ' A' ' 2' ' ' ASP . 62.8 mtt180 -93.56 -4.02 51.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.867 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -153.46 116.79 2.73 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.564 -178.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -56.83 -44.26 46.62 Favored 'Trans proline' 0 CA--C 1.531 0.341 0 C-N-CA 123.159 2.573 . . . . 0.0 113.241 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -60.73 -43.37 97.96 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 120.687 0.28 . . . . 0.0 111.356 -179.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.452 ' O ' ' HB ' ' A' ' 66' ' ' VAL . 50.2 tptt -73.45 -28.7 62.1 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.224 179.272 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 64' ' ' ARG . 0.2 OUTLIER -66.08 -37.58 86.15 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.45 176.507 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.544 ' O ' ' HG3' ' A' ' 69' ' ' LYS . 55.6 tt0 -59.92 -31.74 70.12 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 121.01 0.433 . . . . 0.0 110.2 178.405 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.537 ' CG1' ' HB3' ' A' ' 110' ' ' GLU . 83.1 t -59.23 -48.54 86.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.529 170.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 64.3 mt -61.85 -40.8 88.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.99 178.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -55.79 -44.42 77.74 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-O 120.767 0.318 . . . . 0.0 110.942 178.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.544 ' HG3' ' O ' ' A' ' 65' ' ' GLN . 48.1 mttp -64.73 -45.57 85.93 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.909 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.452 ' O ' ' HB2' ' A' ' 74' ' ' GLU . 1.7 mp -66.25 -39.52 84.49 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.381 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.405 179.408 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.425 HD21 ' HG3' ' A' ' 52' ' ' LYS . 2.4 tm? -59.88 -49.5 77.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.357 -179.327 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -66.34 -43.51 85.86 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.213 0.53 . . . . 0.0 110.351 -179.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -62.75 -44.94 94.89 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.634 179.433 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.452 ' HB2' ' O ' ' A' ' 70' ' ' ILE . 4.9 tp10 -66.23 -39.13 89.34 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.344 -176.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.492 ' OE1' ' HA ' ' A' ' 75' ' ' GLU . 0.4 OUTLIER -64.39 -34.68 78.72 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 121.039 0.447 . . . . 0.0 110.39 175.218 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.58 -33.35 75.7 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.927 177.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 64.6 m170 -59.84 -44.65 93.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.257 0.551 . . . . 0.0 109.843 174.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.528 HD13 ' HG2' ' A' ' 45' ' ' LYS . 64.9 mt -66.3 -37.52 79.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.692 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -55.26 -43.1 74.37 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.059 0.457 . . . . 0.0 109.952 174.168 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.682 ' CZ2' HD13 ' A' ' 96' ' ' LEU . 15.6 t-105 -69.57 -58.29 4.13 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.422 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 26.6 m-70 -58.47 -34.19 70.59 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -172.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 25.3 ttpp -72.74 -39.92 66.47 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.994 0.426 . . . . 0.0 110.432 -179.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.69 -30.22 65.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.112 0.482 . . . . 0.0 110.638 176.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.07 -10.36 57.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.443 -0.799 . . . . 0.0 112.159 -178.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 34.1 m -66.83 87.0 0.13 Allowed 'General case' 0 CA--C 1.534 0.338 0 CA-C-O 121.181 0.515 . . . . 0.0 110.825 178.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 35.4 mmtp -123.14 -177.28 3.64 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.828 179.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -120.22 137.3 54.28 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 177.675 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 70.77 31.92 67.19 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.893 -0.67 . . . . 0.0 113.425 177.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 50.0 t-20 -140.8 119.45 12.42 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.897 0.349 . . . . 0.0 110.143 178.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -140.0 -21.27 0.87 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.333 178.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -66.74 -50.64 62.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.876 0.37 . . . . 0.0 110.908 -174.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 25.9 mp0 -70.34 -42.83 71.36 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.316 0.579 . . . . 0.0 109.908 176.205 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.52 ' O ' HG23 ' A' ' 97' ' ' VAL . 72.1 t80 -55.05 -53.82 50.96 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.887 -1.051 . . . . 0.0 111.614 -176.707 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.69 -41.31 97.41 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.742 0.306 . . . . 0.0 111.496 -177.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 15.7 m -61.8 -39.69 92.61 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.355 0.598 . . . . 0.0 110.383 -179.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.682 HD13 ' CZ2' ' A' ' 80' ' ' TRP . 6.2 mt -72.78 -32.84 65.89 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.428 178.289 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 93' ' ' PHE . 79.5 t -64.56 -36.59 77.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.903 0.382 . . . . 0.0 110.881 175.688 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -59.02 -36.11 74.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.088 0.47 . . . . 0.0 110.893 177.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.636 HE21 ' HA ' ' A' ' 96' ' ' LEU . 47.9 mt-30 -73.86 -34.22 64.4 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.677 179.226 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 6.9 t-160 -60.89 -41.38 95.91 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 173.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 50.6 tp -58.45 -48.48 80.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.194 179.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -66.77 -35.36 79.91 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 121.051 0.453 . . . . 0.0 110.744 179.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -58.89 -47.9 83.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.216 178.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.441 ' O ' ' HB2' ' A' ' 107' ' ' HIS . 15.5 mm-40 -65.57 -23.75 66.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.253 -176.01 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.494 ' O ' ' HG3' ' A' ' 109' ' ' GLU . 78.2 mt-30 -64.61 -40.46 95.55 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.118 176.393 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.508 ' HA ' ' OE1' ' A' ' 109' ' ' GLU . 53.8 mtt180 -62.34 -35.8 80.23 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.155 0.503 . . . . 0.0 109.997 175.789 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.631 ' O ' HG12 ' A' ' 111' ' ' ILE . 16.1 m170 -60.13 -50.05 75.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.682 177.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 104' ' ' GLU . 59.1 t -58.83 -37.79 68.68 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.58 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.508 ' OE1' ' HA ' ' A' ' 106' ' ' ARG . 45.0 mt-10 -58.11 -48.32 80.54 Favored 'General case' 0 N--CA 1.461 0.118 0 CA-C-O 120.94 0.4 . . . . 0.0 110.58 179.576 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.537 ' HB3' ' CG1' ' A' ' 66' ' ' VAL . 21.5 mm-40 -71.45 -38.1 71.32 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.859 179.68 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.631 HG12 ' O ' ' A' ' 107' ' ' HIS . 46.7 mm -62.42 -65.74 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.965 -179.216 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -135.97 81.38 1.88 Allowed 'General case' 0 N--CA 1.447 -0.614 0 CA-C-O 121.188 0.518 . . . . 0.0 111.345 -176.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.415 ' HB3' ' O ' ' A' ' 109' ' ' GLU . 18.0 pttp -80.9 5.28 16.61 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.038 174.797 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -100.48 -21.42 15.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.364 175.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.738 -0.648 . . . . 0.0 110.423 -176.014 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.3 ttm . . . . . 0 N--CA 1.48 1.074 0 CA-C-O 121.127 0.489 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -146.56 103.42 3.67 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.289 176.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.658 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 15.5 mp0 -103.2 -5.91 22.68 Favored 'General case' 0 C--N 1.312 -1.024 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 175.42 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.64 ' O ' ' HG ' ' A' ' 8' ' ' LEU . 9.4 mp -66.84 -32.15 73.23 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.013 -175.352 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -58.17 -49.97 75.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.809 0.337 . . . . 0.0 110.657 178.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -71.9 -34.3 69.01 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.101 177.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.658 ' HG ' ' O ' ' A' ' 3' ' ' GLU . 75.7 mt -60.36 -28.87 68.52 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 178.386 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.64 ' HG ' ' O ' ' A' ' 4' ' ' LEU . 82.9 mt -58.91 -29.12 66.82 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.735 -179.132 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -57.22 -34.59 68.72 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.974 -172.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.34 -48.87 73.9 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.973 -0.291 . . . . 0.0 111.342 -176.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -70.43 -39.58 74.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.618 178.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.457 ' HG2' ' O ' ' A' ' 8' ' ' LEU . 31.8 mm-40 -62.08 -46.03 90.9 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.8 0.334 . . . . 0.0 110.599 179.014 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.433 ' O ' HG13 ' A' ' 17' ' ' ILE . 51.0 tp60 -65.99 -43.56 87.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.547 -178.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.656 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -58.58 -46.96 92.52 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.991 178.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.503 ' HA ' HD12 ' A' ' 18' ' ' LEU . 77.0 mt -64.06 -39.21 84.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.604 0.24 . . . . 0.0 110.668 178.186 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.416 ' HA ' ' CE ' ' A' ' 19' ' ' LYS . 12.2 tmtt? -58.01 -46.91 84.52 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 179.099 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.433 HG13 ' O ' ' A' ' 13' ' ' GLN . 67.9 mt -66.18 -33.58 64.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.763 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.656 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 97.7 mt -57.85 -39.46 77.77 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.078 177.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.471 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -65.7 -38.45 89.28 Favored 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 121.074 -0.25 . . . . 0.0 110.822 176.775 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.404 ' HA ' ' HD2' ' A' ' 23' ' ' LYS . 5.7 mm-40 -62.5 -40.66 97.43 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.313 0.578 . . . . 0.0 110.1 -179.673 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.566 HG21 HD11 ' A' ' 40' ' ' ILE . 96.1 t -61.21 -45.62 98.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.856 178.19 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 97.4 mt -60.33 -38.0 82.39 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.83 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.471 ' HG3' ' O ' ' A' ' 19' ' ' LYS . 95.7 mttt -60.81 -48.65 80.83 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.792 179.078 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.826 ' HA ' ' HE3' ' A' ' 24' ' ' LYS . 1.1 tpmt? -71.69 -35.81 70.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.799 -175.483 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.467 ' HA ' HD11 ' A' ' 33' ' ' LEU . . . -60.7 -42.08 96.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.048 178.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -72.24 -20.29 61.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.392 179.095 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -82.43 -20.23 37.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.092 0.472 . . . . 0.0 110.009 174.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 77.68 25.6 62.47 Favored Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.858 -0.61 . . . . 0.0 112.626 178.054 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.503 ' HB3' ' HE2' ' A' ' 24' ' ' LYS . 18.6 t70 -101.41 125.92 48.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.868 0.365 . . . . 0.0 110.114 179.639 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -95.06 -9.81 32.66 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.359 -173.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -70.16 -51.69 29.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.211 -175.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.523 ' HB2' ' CD ' ' A' ' 24' ' ' LYS . 1.1 mp0 -71.44 -37.24 71.42 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.969 178.261 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.467 HD11 ' HA ' ' A' ' 25' ' ' ALA . 18.8 mt -56.19 -36.93 68.95 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -174.323 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.89 -45.12 83.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.144 0.497 . . . . 0.0 110.503 178.116 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' ' 35' ' ' ARG . 23.5 ttt180 -70.2 -40.05 74.82 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.268 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.467 ' O ' HG13 ' A' ' 40' ' ' ILE . 94.2 mt -63.3 -42.44 99.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.857 0.361 . . . . 0.0 110.425 178.706 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -59.7 -38.95 83.0 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.13 176.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -70.15 -36.96 75.1 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.468 177.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -64.02 -36.21 83.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.044 0.45 . . . . 0.0 110.138 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.566 HD11 HG21 ' A' ' 21' ' ' VAL . 79.1 mt -60.17 -47.3 92.62 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.133 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.71 177.554 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.441 HG13 HG23 ' A' ' 78' ' ' ILE . 57.7 t -54.67 -40.5 51.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.042 -179.287 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -63.18 -44.49 95.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.993 178.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.02 -46.3 68.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.448 -176.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.449 ' O ' HG23 ' A' ' 48' ' ' VAL . 8.0 mm-40 -58.87 -47.33 85.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.771 -179.465 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.498 ' HG3' HD13 ' A' ' 78' ' ' ILE . 62.0 mttm -69.87 -30.84 68.4 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.26 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.401 ' O ' HG23 ' A' ' 50' ' ' VAL . 58.9 tp60 -59.65 -42.89 93.81 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 177.05 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.1 -48.05 61.64 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.574 -0.822 . . . . 0.0 111.881 176.485 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 44' ' ' GLU . 77.6 t -55.24 -48.79 76.08 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 CA-C-O 120.822 0.344 . . . . 0.0 111.585 -179.119 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -57.0 -49.41 75.86 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.38 -177.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 46' ' ' GLN . 28.1 t -70.32 -37.84 72.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.885 0.374 . . . . 0.0 110.95 -179.522 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.628 ' HE1' ' HB3' ' A' ' 7' ' ' LEU . 10.3 m-30 -63.0 -44.27 96.49 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.503 -179.067 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.463 ' HB2' HD11 ' A' ' 71' ' ' LEU . 34.4 ttpt -62.92 -35.7 80.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.751 0.31 . . . . 0.0 110.794 -177.356 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.8 tm-20 -60.41 -48.83 80.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.601 179.196 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.05 -37.92 66.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.782 -0.645 . . . . 0.0 112.167 -179.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.71 -44.73 86.13 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 112.014 0.375 . . . . 0.0 112.014 -175.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -83.24 3.45 31.11 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.969 0.414 . . . . 0.0 110.859 -178.33 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -116.28 -22.23 8.95 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.102 -172.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -75.22 144.23 42.73 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.026 -179.214 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 45.3 mtm-85 -93.34 -1.29 56.11 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.798 -179.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.524 ' HB2' ' HB3' ' A' ' 63' ' ' LYS . 17.2 m120 -101.2 113.99 65.79 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.726 -176.133 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_exo -57.59 -48.39 17.35 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 123.189 2.593 . . . . 0.0 113.142 -177.457 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.444 ' CD ' ' H ' ' A' ' 62' ' ' GLU . 0.5 OUTLIER -70.24 -38.56 75.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.88 0.372 . . . . 0.0 110.616 -176.779 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.524 ' HB3' ' HB2' ' A' ' 60' ' ' ASN . 87.4 tttt -64.42 -36.2 83.38 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.876 177.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 43.2 ttt-85 -67.99 -41.26 82.58 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.478 176.26 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 23.3 tm0? -56.48 -44.05 80.23 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 -179.1 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 88.7 t -58.82 -47.72 88.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.084 0.469 . . . . 0.0 110.317 178.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 68.8 mt -64.48 -46.99 91.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.914 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -59.19 -44.41 92.21 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.624 -178.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -61.02 -45.37 95.09 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.99 -179.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.44 HD13 HD11 ' A' ' 111' ' ' ILE . 83.7 mt -68.84 -41.55 82.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.662 179.727 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.463 HD11 ' HB2' ' A' ' 52' ' ' LYS . 6.5 tt -58.04 -44.51 87.44 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.375 178.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -64.44 -42.24 96.09 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.659 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.466 ' HB3' ' CE1' ' A' ' 107' ' ' HIS . 18.6 t0 -67.89 -41.53 82.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.409 0.623 . . . . 0.0 110.649 -178.307 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.445 ' OE1' ' HA ' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -60.8 -41.8 96.36 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.581 -174.295 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.508 ' HA ' HD12 ' A' ' 78' ' ' ILE . 49.6 mm-40 -68.3 -34.43 76.12 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 120.776 0.322 . . . . 0.0 110.644 175.692 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.438 ' HB3' ' O ' ' A' ' 73' ' ' ASP . 64.1 tttm -59.2 -37.07 76.53 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.393 177.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.551 ' HE2' ' CG ' ' A' ' 103' ' ' ASP . 57.3 m170 -66.12 -46.35 77.87 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.575 0.702 . . . . 0.0 110.287 176.472 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.508 HD12 ' HA ' ' A' ' 75' ' ' GLU . 75.6 mt -59.59 -37.22 69.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 114.872 -1.058 . . . . 0.0 111.522 -178.312 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -55.16 -41.04 71.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.376 178.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 38.7 t-105 -71.25 -54.29 11.4 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 179.248 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 80.1 m-70 -59.37 -32.09 69.82 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 -178.016 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.414 ' HE2' ' HB3' ' A' ' 82' ' ' LYS . 36.6 ttpt -61.62 -42.77 99.35 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.845 0.355 . . . . 0.0 110.705 177.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.84 -28.56 64.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.946 0.403 . . . . 0.0 110.894 179.345 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.31 -9.67 58.81 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.192 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 34.7 m -76.01 42.17 0.24 Allowed 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 113.221 0.823 . . . . 0.0 113.221 -172.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -138.71 92.01 2.58 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 173.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.2 tp60 68.69 130.5 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.039 -0.982 . . . . 0.0 111.048 -174.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -69.07 141.16 35.45 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.26 -179.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.543 ' HB3' ' HB2' ' A' ' 93' ' ' PHE . 25.5 t-20 -116.27 151.12 36.43 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 176.106 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -108.13 -66.48 1.04 Allowed 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.775 -0.37 . . . . 0.0 111.899 -176.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -64.42 -49.08 72.94 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -169.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -70.76 -49.69 44.02 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.618 0.723 . . . . 0.0 110.468 177.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.543 ' HB2' ' HB3' ' A' ' 89' ' ' ASN . 63.5 t80 -60.19 -37.93 81.72 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.58 -1.191 . . . . 0.0 112.303 -171.53 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.23 -41.47 79.56 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 -178.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 10.4 t -69.27 -30.68 68.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.01 0.433 . . . . 0.0 110.681 -176.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -72.55 -36.94 68.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.127 179.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 93' ' ' PHE . 54.9 t -63.99 -36.67 77.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.087 0.47 . . . . 0.0 110.523 178.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 65.0 mt-30 -61.35 -40.36 94.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.619 178.104 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -63.53 -41.69 98.46 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.311 178.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.4 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 4.7 t-160 -59.08 -44.31 91.88 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.001 177.625 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.566 HD22 HE21 ' A' ' 105' ' ' GLN . 1.4 tt -64.31 -43.33 95.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.567 -177.472 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -61.15 -35.94 78.45 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.388 0.613 . . . . 0.0 110.53 178.253 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.551 ' CG ' ' HE2' ' A' ' 77' ' ' HIS . 8.2 t70 -68.12 -47.3 68.51 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 114.944 -1.025 . . . . 0.0 111.011 -178.22 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -64.85 -28.63 69.69 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.521 -177.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.566 HE21 HD22 ' A' ' 101' ' ' LEU . 79.8 mt-30 -60.87 -36.27 78.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.732 0.301 . . . . 0.0 110.555 179.701 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.12 -40.01 95.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.339 177.545 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.622 ' O ' HG13 ' A' ' 111' ' ' ILE . 64.8 m170 -60.81 -49.94 75.44 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.206 177.696 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 95.9 t -59.55 -40.6 82.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.7 -177.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.51 ' HG3' ' O ' ' A' ' 105' ' ' GLN . 49.3 mt-10 -62.0 -38.06 87.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.746 0.308 . . . . 0.0 111.166 -178.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.456 ' O ' ' HE2' ' A' ' 113' ' ' LYS . 43.0 mt-10 -72.06 -29.19 63.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.633 178.029 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.622 HG13 ' O ' ' A' ' 107' ' ' HIS . 23.1 mt -86.11 -64.49 1.06 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.331 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 -177.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -77.42 42.82 0.36 Allowed 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 112.638 0.606 . . . . 0.0 112.638 -169.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.456 ' HE2' ' O ' ' A' ' 110' ' ' GLU . 59.1 pttt -106.71 -25.23 11.84 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.842 0.353 . . . . 0.0 110.422 174.137 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 59.2 mmtt -106.49 -5.57 18.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.327 0.584 . . . . 0.0 110.142 173.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 8.7 m120 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.238 -0.886 . . . . 0.0 109.709 177.416 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 mpt? . . . . . 0 N--CA 1.482 1.147 0 CA-C-O 120.345 0.116 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -147.02 136.7 23.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.735 -0.211 . . . . 0.0 110.528 -177.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.578 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 42.7 mm-40 -52.45 -50.91 61.69 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 123.533 0.521 . . . . 0.0 111.176 -177.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 98.0 mt -61.55 -46.29 90.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.57 -173.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.512 ' HD2' ' N ' ' A' ' 5' ' ' ARG . 7.4 mpt_? -67.28 -43.02 82.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.584 0.231 . . . . 0.0 111.206 -176.69 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.17 -40.45 82.31 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.3 -179.184 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' A' ' 3' ' ' GLU . 85.1 mt -72.66 -43.76 62.75 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 111.75 0.278 . . . . 0.0 111.75 -178.68 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.429 HD21 HG13 ' A' ' 108' ' ' VAL . 0.9 OUTLIER -71.74 -41.95 67.86 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.849 -174.071 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.6 ttmm -61.33 -32.94 72.82 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.228 -177.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.84 -46.53 84.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.961 179.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.441 ' HG2' ' OH ' ' A' ' 51' ' ' TYR . 5.5 mm-40 -63.89 -47.31 81.14 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.734 177.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -62.82 -32.99 74.29 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.405 -178.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.414 ' O ' HG13 ' A' ' 17' ' ' ILE . 46.6 tt0 -65.69 -45.15 83.89 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 176.42 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.648 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -62.27 -46.87 93.02 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.498 -0.858 . . . . 0.0 111.59 175.388 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' ' 11' ' ' GLU . 77.0 mt -60.08 -43.75 93.49 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 C-N-CA 122.525 0.33 . . . . 0.0 110.974 178.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 57.0 tptt -54.55 -47.38 73.28 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.601 178.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.527 ' O ' HG23 ' A' ' 21' ' ' VAL . 56.1 mt -68.61 -42.87 83.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.85 179.339 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.648 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 96.1 mt -57.54 -39.78 77.36 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.874 0.368 . . . . 0.0 110.97 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -67.15 -34.1 76.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.271 178.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.1 -36.23 77.32 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.964 0.411 . . . . 0.0 110.371 175.508 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 17' ' ' ILE . 82.4 t -59.92 -37.41 71.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.95 178.367 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 98.1 mt -54.97 -46.15 75.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.846 -177.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.512 ' HB3' ' NZ ' ' A' ' 23' ' ' LYS . 8.1 mtpm? -69.11 -43.58 74.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.012 0.434 . . . . 0.0 110.944 178.4 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.529 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . 64.6 mttm -71.81 -21.15 61.74 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.583 -175.333 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.67 -34.9 70.08 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 172.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -71.73 -27.46 63.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.404 175.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.529 ' HG2' ' HA ' ' A' ' 24' ' ' LYS . 23.4 mm-40 -64.85 -40.25 94.86 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.565 174.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 81.54 32.81 29.67 Favored Glycine 0 N--CA 1.448 -0.548 0 CA-C-N 115.742 -0.663 . . . . 0.0 112.506 176.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -105.52 119.93 40.34 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.145 0.497 . . . . 0.0 110.402 177.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.444 ' HG3' ' HA3' ' A' ' 88' ' ' GLY . 27.8 tt0 -77.02 -32.25 56.93 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.971 -174.406 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -67.87 -40.12 83.65 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.321 0.581 . . . . 0.0 109.711 178.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.437 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 35.5 tp10 -60.97 -48.37 82.12 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.032 174.14 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 32.6 mt -57.43 -42.69 82.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.394 -0.821 . . . . 0.0 112.122 -179.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.35 -39.97 94.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.876 0.37 . . . . 0.0 111.313 -179.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.456 HH11 ' HD2' ' A' ' 35' ' ' ARG . 17.6 ttm105 -65.6 -40.63 92.89 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.4 179.215 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.472 ' O ' HG13 ' A' ' 40' ' ' ILE . 91.6 mt -63.56 -45.61 89.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.269 -179.096 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -56.4 -42.33 77.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.787 -176.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.519 ' O ' ' HG2' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -55.76 -48.91 74.47 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.305 179.919 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -65.73 -31.86 73.09 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.394 -178.087 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' ' 36' ' ' LEU . 71.5 mt -66.02 -46.78 87.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.51 179.062 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.9 t -57.84 -41.0 78.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.364 179.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.519 ' HG2' ' O ' ' A' ' 38' ' ' GLN . 30.1 mmmt -60.34 -42.72 96.25 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.699 178.377 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.75 -46.68 65.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.205 -177.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.48 ' O ' HG23 ' A' ' 48' ' ' VAL . 13.3 mm-40 -59.71 -44.98 93.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.97 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.469 ' HD3' ' HA ' ' A' ' 45' ' ' LYS . 61.6 mmtt -67.95 -31.92 72.0 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.654 -0.248 . . . . 0.0 111.53 179.754 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 54.9 tp60 -60.15 -43.4 95.79 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 173.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.29 -46.75 93.27 Favored Glycine 0 N--CA 1.446 -0.638 0 CA-C-N 115.277 -0.874 . . . . 0.0 112.01 175.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 44' ' ' GLU . 93.0 t -54.34 -42.02 55.75 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-O 120.694 0.283 . . . . 0.0 111.277 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -59.98 -51.46 69.59 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.112 -179.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 29.0 m -70.49 -30.43 42.71 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.505 -178.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.466 ' CD1' HD22 ' A' ' 7' ' ' LEU . 14.9 m-85 -69.6 -38.07 77.16 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 116.898 -0.137 . . . . 0.0 111.17 178.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -70.02 -37.6 75.66 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 176.424 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -63.21 -37.89 89.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.966 176.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.89 -42.3 66.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.039 177.134 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.93 -39.61 90.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.775 0.322 . . . . 0.0 111.322 -179.417 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -82.48 -0.29 45.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.194 178.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -116.73 5.5 13.14 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.267 0.556 . . . . 0.0 109.544 177.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.7 148.4 48.05 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.48 -174.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -108.99 118.64 37.33 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.35 177.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 73.43 138.0 0.06 OUTLIER Pre-proline 0 N--CA 1.468 0.425 0 O-C-N 123.806 0.691 . . . . 0.0 110.586 -176.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_endo -56.54 -31.4 86.32 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 123.31 2.673 . . . . 0.0 113.287 -175.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -61.94 -42.26 98.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.883 0.373 . . . . 0.0 111.383 -177.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -70.63 -35.4 72.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.887 0.375 . . . . 0.0 110.069 -178.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.434 HH11 ' HD2' ' A' ' 64' ' ' ARG . 26.4 ttt85 -66.62 -37.73 85.47 Favored 'General case' 0 C--O 1.221 -0.423 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.327 177.319 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -55.87 -41.06 73.83 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 122.651 0.381 . . . . 0.0 110.843 179.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 96.8 t -62.37 -50.46 79.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.066 177.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 59.9 mt -67.13 -38.31 80.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -57.22 -44.55 83.85 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.826 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.448 ' NZ ' ' HE2' ' A' ' 107' ' ' HIS . 14.0 tmtt? -59.72 -42.92 94.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.533 178.674 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.487 ' O ' ' HG2' ' A' ' 74' ' ' GLU . 65.3 mt -64.75 -45.18 95.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.664 -179.564 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.0 tt -61.05 -48.91 79.58 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.222 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -61.07 -36.08 78.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.925 178.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -66.0 -45.65 80.8 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.676 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.492 ' O ' HG13 ' A' ' 78' ' ' ILE . 69.0 mm-40 -60.81 -39.43 88.93 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.45 -177.647 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -61.86 -35.23 77.68 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 120.848 0.356 . . . . 0.0 110.943 178.332 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.0 tmmt? -68.28 -33.62 74.69 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.02 177.019 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.549 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 53.2 m170 -65.14 -49.25 70.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.378 0.609 . . . . 0.0 110.115 177.335 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.62 ' O ' ' HG3' ' A' ' 82' ' ' LYS . 51.5 mt -63.01 -38.66 82.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.395 -178.204 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -56.94 -39.84 75.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.47 179.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.567 ' HZ2' ' HA ' ' A' ' 93' ' ' PHE . 16.9 t-105 -64.69 -52.35 57.7 Favored 'General case' 0 N--CA 1.457 -0.119 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.462 175.654 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 60.2 m-70 -56.72 -33.04 66.11 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.481 0.548 . . . . 0.0 112.481 -175.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.62 ' HG3' ' O ' ' A' ' 78' ' ' ILE . 80.4 mttt -61.87 -48.36 80.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.26 0.552 . . . . 0.0 110.316 177.212 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.71 -31.8 67.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.46 -177.248 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.77 -52.1 66.86 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.398 -0.819 . . . . 0.0 112.751 -174.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 57.7 m -99.16 59.8 1.16 Allowed 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -173.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 57.4 mttp -69.81 -47.5 62.56 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 106.994 -1.484 . . . . 0.0 106.994 161.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -134.89 -71.48 0.48 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 113.735 -1.575 . . . . 0.0 107.874 168.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.444 ' HA3' ' HG3' ' A' ' 30' ' ' GLU . . . 169.56 131.42 1.31 Allowed Glycine 0 N--CA 1.444 -0.828 0 N-CA-C 110.599 -1.0 . . . . 0.0 110.599 178.09 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.49 ' HB3' ' HB2' ' A' ' 92' ' ' GLN . 18.3 m120 -110.61 9.05 23.01 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 117.151 0.475 . . . . 0.0 111.303 -178.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 45.59 -94.68 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 123.852 0.861 . . . . 0.0 113.246 176.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -65.73 -41.36 92.3 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.646 -174.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.49 ' HB2' ' HB3' ' A' ' 89' ' ' ASN . 62.4 mt-30 -63.04 -35.2 79.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.66 0.743 . . . . 0.0 109.73 -179.511 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.567 ' HA ' ' HZ2' ' A' ' 80' ' ' TRP . 71.2 t80 -71.42 -50.72 29.07 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.937 -1.028 . . . . 0.0 110.316 178.086 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.15 -44.33 92.1 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.765 -177.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 23.1 t -59.3 -44.36 92.53 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.953 0.406 . . . . 0.0 110.863 -179.294 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 8.5 mp -72.82 -32.12 65.28 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.516 179.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 93' ' ' PHE . 49.0 t -61.6 -37.42 77.87 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 175.056 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -58.27 -38.79 77.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.841 0.353 . . . . 0.0 110.764 175.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -67.97 -41.58 82.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.096 179.052 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.549 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 9.4 t-160 -60.35 -43.14 96.77 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.769 176.383 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.428 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 50.9 tp -58.85 -48.5 81.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.111 179.616 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.547 ' O ' ' HD3' ' A' ' 106' ' ' ARG . 32.1 mm-40 -65.32 -39.51 92.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.164 0.507 . . . . 0.0 110.463 178.638 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -57.52 -49.21 77.08 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.09 -0.959 . . . . 0.0 111.008 -178.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.404 ' HG2' ' O ' ' A' ' 100' ' ' HIS . 14.8 mm-40 -68.2 -32.63 72.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.465 -177.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.46 ' O ' ' HG3' ' A' ' 109' ' ' GLU . 79.6 mt-30 -61.67 -41.65 97.84 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.395 178.75 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.547 ' HD3' ' O ' ' A' ' 102' ' ' GLN . 3.4 mpt_? -66.43 -32.51 73.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.475 178.65 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.448 ' HE2' ' NZ ' ' A' ' 69' ' ' LYS . 41.1 m170 -63.46 -46.41 86.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.445 174.788 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.429 HG13 HD21 ' A' ' 8' ' ' LEU . 79.2 t -62.44 -41.74 92.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.783 178.3 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.46 ' HG3' ' O ' ' A' ' 105' ' ' GLN . 47.5 mt-10 -59.13 -33.4 70.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.567 178.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -69.34 -48.1 62.39 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.901 0.381 . . . . 0.0 110.597 177.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 47.5 mm -72.41 -47.93 49.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.641 -175.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.452 ' HB3' ' HB3' ' A' ' 115' ' ' ASN . 5.5 mm-40 -80.13 -39.33 29.69 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.537 -176.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 23.2 pttp 46.65 23.28 0.23 Allowed 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.601 1.16 . . . . 0.0 113.099 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.442 ' HA ' ' HD3' ' A' ' 114' ' ' LYS . 6.4 mmtt -178.16 39.87 0.0 OUTLIER 'General case' 0 C--O 1.234 0.257 0 C-N-CA 122.936 0.495 . . . . 0.0 110.355 177.125 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.452 ' HB3' ' HB3' ' A' ' 112' ' ' GLU . 39.9 t30 . . . . . 0 C--O 1.247 0.967 0 CA-C-O 118.958 -0.544 . . . . 0.0 110.115 -179.118 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.668 ' HA ' ' HE2' ' A' ' 113' ' ' LYS . 54.4 mtm . . . . . 0 N--CA 1.483 1.204 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -95.47 77.88 3.37 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.452 176.098 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -78.44 -67.53 0.73 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.692 -178.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.454 HD22 ' HA ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -135.22 113.13 11.02 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.981 -0.378 . . . . 0.0 109.981 -178.479 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 64.8 mtp85 -64.38 -44.83 90.12 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.92 -175.136 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -60.96 -35.08 75.82 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.714 -174.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.413 ' HG ' HD12 ' A' ' 4' ' ' LEU . 78.6 mt -64.92 -27.93 69.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.642 -178.75 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 84.3 mt -60.04 -36.69 77.85 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.998 0.428 . . . . 0.0 111.016 179.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.604 ' HA ' ' HE3' ' A' ' 9' ' ' LYS . 0.4 OUTLIER -61.76 -34.76 76.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.974 -0.557 . . . . 0.0 112.005 -174.543 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.77 -49.17 74.01 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 121.011 -0.276 . . . . 0.0 111.654 -174.203 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -70.31 -43.77 69.65 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.712 0.292 . . . . 0.0 110.711 178.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 73.4 mm-40 -58.57 -41.83 86.59 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.231 179.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.439 ' HB2' ' HE2' ' A' ' 9' ' ' LYS . 25.1 tt0 -69.4 -42.87 74.52 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.611 -178.44 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.563 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -58.88 -46.61 93.33 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.788 -0.72 . . . . 0.0 111.901 178.564 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.493 ' HA ' HD12 ' A' ' 18' ' ' LEU . 79.2 mt -60.93 -39.2 81.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.011 0.434 . . . . 0.0 110.871 177.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.7 tttm -64.93 -40.97 95.87 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.854 -177.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 65.3 mt -69.38 -36.46 72.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.528 178.291 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 97.0 mt -57.8 -36.98 72.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.979 178.27 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? -62.55 -37.26 85.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.156 179.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -66.55 -34.83 78.77 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.175 0.512 . . . . 0.0 110.334 179.031 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.494 HG21 HD11 ' A' ' 40' ' ' ILE . 58.8 t -64.35 -38.89 83.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.649 179.294 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 96.8 mt -61.13 -39.26 89.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.074 0.464 . . . . 0.0 110.589 177.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.521 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 92.7 mttt -65.59 -37.85 87.84 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.738 179.149 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 35.4 mmtm -83.15 -18.46 39.37 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.64 -177.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.446 ' HB1' ' HB2' ' A' ' 94' ' ' ALA . . . -67.45 -39.38 85.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.833 178.454 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.521 ' HG2' ' O ' ' A' ' 23' ' ' LYS . 65.2 pttt -71.96 -28.58 63.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.326 178.417 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -72.57 -33.38 66.73 Favored 'General case' 0 C--O 1.231 0.105 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 175.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 71.29 45.15 50.11 Favored Glycine 0 N--CA 1.448 -0.507 0 CA-C-N 115.771 -0.649 . . . . 0.0 113.614 171.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -126.42 130.18 50.2 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.013 174.23 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.558 ' HA ' ' HB2' ' A' ' 33' ' ' LEU . 42.1 tt0 -79.84 -18.95 49.53 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.798 -174.43 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -58.65 -48.3 81.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.021 0.438 . . . . 0.0 110.091 -178.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -72.93 -44.97 60.57 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.991 175.3 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.558 ' HB2' ' HA ' ' A' ' 30' ' ' GLU . 47.4 mt -57.19 -45.17 83.98 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.046 -0.524 . . . . 0.0 112.038 -176.102 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.53 -45.49 93.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.653 -0.249 . . . . 0.0 111.277 -177.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -66.44 -44.32 83.16 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.837 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.519 ' O ' HG13 ' A' ' 40' ' ' ILE . 92.3 mt -60.01 -42.3 94.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.187 177.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.423 ' O ' HG23 ' A' ' 41' ' ' VAL . 65.0 t30 -61.36 -40.77 95.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.059 177.573 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.862 HE21 ' HA ' ' A' ' 38' ' ' GLN . 0.0 OUTLIER -63.36 -38.77 92.43 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.444 178.23 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -65.04 -36.83 85.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.64 176.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.519 HG13 ' O ' ' A' ' 36' ' ' LEU . 82.1 mt -62.27 -47.31 93.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.474 177.362 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 37' ' ' ASN . 92.8 t -53.46 -53.09 26.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.327 179.194 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.427 ' HB3' ' HE2' ' A' ' 42' ' ' LYS . 48.2 mtpt -63.97 -39.44 94.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.771 -179.512 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.45 -46.5 79.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.359 -178.093 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.451 ' O ' HG23 ' A' ' 48' ' ' VAL . 36.4 mt-10 -69.69 -38.83 77.13 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.005 -178.308 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.518 ' HG3' HD13 ' A' ' 78' ' ' ILE . 59.2 mttm -66.12 -32.74 74.38 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 121.063 -0.255 . . . . 0.0 111.232 177.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 53.1 tp60 -63.61 -39.83 95.36 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 174.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.82 -44.99 93.93 Favored Glycine 0 N--CA 1.447 -0.596 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.398 174.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 44' ' ' GLU . 78.6 t -55.53 -39.86 56.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.708 0.29 . . . . 0.0 110.832 176.772 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.5 tmtt? -63.09 -49.52 74.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.674 -179.305 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 16.1 m -69.6 -32.69 53.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 C-N-CA 120.756 -0.378 . . . . 0.0 111.356 -179.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -67.56 -42.98 81.74 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.989 -0.284 . . . . 0.0 110.434 176.363 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.587 ' HE2' ' HA ' ' A' ' 52' ' ' LYS . 0.7 OUTLIER -59.55 -43.53 93.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.895 0.379 . . . . 0.0 111.105 176.393 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -67.04 -48.5 68.14 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.926 -178.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.0 -34.92 73.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.994 -176.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.58 -48.28 78.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.838 0.351 . . . . 0.0 111.498 -177.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -72.25 -21.94 61.31 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.124 -177.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -96.6 0.37 49.84 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.395 178.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.1 127.67 33.34 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.731 -179.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -78.4 -23.28 46.83 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.234 -179.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -105.36 117.79 57.39 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-O 120.804 0.335 . . . . 0.0 110.79 179.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -64.56 -34.68 51.57 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 123.211 2.607 . . . . 0.0 113.299 -178.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -60.66 -43.57 97.47 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.116 0.484 . . . . 0.0 110.048 -179.187 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 1.045 ' HE3' ' HA ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -71.18 -32.51 68.97 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.493 179.295 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -63.91 -40.31 96.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.615 178.109 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -39.33 84.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.517 178.43 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 85.9 t -62.95 -45.04 99.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.499 176.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 65.6 mt -65.33 -38.21 82.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.491 178.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -61.59 -40.3 94.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.719 177.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -59.44 -45.11 92.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.788 176.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.463 ' O ' ' HB2' ' A' ' 74' ' ' GLU . 69.9 mt -70.4 -41.74 78.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.52 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.434 HD21 ' HG2' ' A' ' 52' ' ' LYS . 1.4 tm? -55.76 -48.67 74.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.521 179.498 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.81 -40.98 97.92 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.545 -178.298 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.441 ' HB3' ' CE1' ' A' ' 107' ' ' HIS . 24.7 t0 -72.17 -42.89 65.36 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.118 -177.646 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.463 ' HB2' ' O ' ' A' ' 70' ' ' ILE . 1.7 tp10 -63.56 -41.31 98.41 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.636 -169.472 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.483 ' HA ' HD12 ' A' ' 78' ' ' ILE . 22.0 mm-40 -64.07 -35.48 80.89 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.877 0.37 . . . . 0.0 110.726 176.022 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -64.18 -33.11 75.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.372 179.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.586 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 64.6 m170 -62.31 -48.08 81.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.327 0.584 . . . . 0.0 110.134 176.353 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.518 HD13 ' HG3' ' A' ' 45' ' ' LYS . 52.7 mt -59.82 -48.85 86.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 114.802 -1.09 . . . . 0.0 110.701 -179.222 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -63.53 -32.97 74.59 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.61 177.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.413 ' HA ' ' CE3' ' A' ' 80' ' ' TRP . 4.3 t-105 -67.89 -49.06 64.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.505 -179.04 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -58.98 -36.74 75.37 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.686 177.111 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -69.3 -43.18 74.33 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.09 0.471 . . . . 0.0 110.49 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.63 -27.14 62.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.852 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.1 -22.76 42.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.975 -0.557 . . . . 0.0 112.275 -175.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 27.3 p -60.37 -25.78 66.13 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.956 -177.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -104.45 -3.97 23.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.563 0.22 . . . . 0.0 111.321 179.373 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 85.8 mm-40 -107.22 -46.5 3.87 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -170.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -121.31 138.56 12.57 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 119.713 -1.232 . . . . 0.0 114.291 -171.078 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -77.43 -176.83 4.38 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 171.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -45.5 -62.07 1.43 Allowed 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 -175.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -65.52 -37.09 85.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.983 0.421 . . . . 0.0 111.252 -177.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -68.1 -42.26 80.57 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.51 -178.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -61.92 -42.39 99.04 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.23 175.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.446 ' HB2' ' HB1' ' A' ' 25' ' ' ALA . . . -58.22 -36.95 73.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.549 175.372 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 37.6 m -65.06 -35.99 82.92 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.66 179.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 9.8 mp -67.72 -33.84 75.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.427 176.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.414 HG13 HD22 ' A' ' 18' ' ' LEU . 61.5 t -65.31 -39.63 85.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.02 175.567 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.444 ' HG3' ' O ' ' A' ' 94' ' ' ALA . 52.1 mt-30 -64.03 -36.13 83.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.95 0.405 . . . . 0.0 110.421 177.485 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -63.39 -41.85 98.78 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.04 174.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.586 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 3.1 t-160 -60.05 -42.26 94.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.223 177.475 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.487 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 3.0 mm? -57.56 -49.55 75.99 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.593 -179.747 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 86.9 mm-40 -64.28 -36.34 83.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.41 0.624 . . . . 0.0 110.501 -178.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -65.52 -47.24 76.64 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.794 -179.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.413 ' O ' HG23 ' A' ' 108' ' ' VAL . 14.5 mm-40 -70.95 -30.77 67.16 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.102 -178.576 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.571 ' O ' ' HG3' ' A' ' 109' ' ' GLU . 95.0 mt-30 -61.11 -36.28 79.3 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.971 0.415 . . . . 0.0 110.194 177.133 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.41 ' HD2' ' OE1' ' A' ' 109' ' ' GLU . 13.5 mmm180 -67.5 -39.28 85.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.527 176.012 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.656 ' O ' HG13 ' A' ' 111' ' ' ILE . 54.6 m170 -61.29 -45.62 93.72 Favored 'General case' 0 CA--C 1.521 -0.136 0 CA-C-O 121.077 0.465 . . . . 0.0 110.159 174.551 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 104' ' ' GLU . 50.9 t -56.56 -39.4 62.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.643 179.661 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.571 ' HG3' ' O ' ' A' ' 105' ' ' GLN . 49.9 mt-10 -64.74 -35.17 80.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.916 0.389 . . . . 0.0 111.055 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.98 -37.74 75.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.812 176.416 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.656 HG13 ' O ' ' A' ' 107' ' ' HIS . 15.2 mt -82.52 -69.73 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.624 -175.747 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -104.36 67.93 0.86 Allowed 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 121.933 0.873 . . . . 0.0 111.503 -173.397 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 1.0 ' HD3' ' H ' ' A' ' 113' ' ' LYS . 0.0 OUTLIER -74.57 135.22 42.09 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.177 -0.92 . . . . 0.0 108.867 169.089 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.42 ' HB2' ' O ' ' A' ' 113' ' ' LYS . 29.3 mmmt 67.09 89.38 0.1 Allowed 'General case' 0 N--CA 1.464 0.266 0 O-C-N 123.782 0.676 . . . . 0.0 110.09 -171.198 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 . . . . . 0 C--O 1.249 1.054 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.002 -175.669 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ttt . . . . . 0 N--CA 1.48 1.047 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -141.32 -72.35 0.34 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.013 0.435 . . . . 0.0 110.447 -179.254 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -76.28 146.07 39.2 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.057 -178.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.0 mp -92.37 -28.57 16.82 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.48 -173.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 21.5 tpt180 -61.69 -35.83 79.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.127 0.489 . . . . 0.0 110.464 -178.056 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.497 ' CD ' ' HZ1' ' A' ' 9' ' ' LYS . 15.7 mm-40 -66.02 -37.2 85.28 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.52 177.76 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 49.2 mt -68.59 -42.46 78.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.645 -178.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.761 HD11 HG13 ' A' ' 108' ' ' VAL . 50.7 tp -60.29 -34.71 74.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.45 -177.635 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.497 ' HZ1' ' CD ' ' A' ' 6' ' ' GLU . 36.3 mtmm -64.11 -32.73 74.41 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.476 -178.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.46 -44.62 92.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.901 0.381 . . . . 0.0 110.832 178.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -64.59 -42.3 95.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.716 178.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 76.6 mm-40 -65.48 -36.73 84.73 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.113 178.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.466 ' O ' HG13 ' A' ' 17' ' ' ILE . 24.6 tp60 -61.93 -44.36 96.93 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 177.048 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.545 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -59.5 -46.22 94.29 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.645 -0.788 . . . . 0.0 111.919 176.095 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.462 HG23 HD12 ' A' ' 101' ' ' LEU . 85.9 mt -57.14 -44.94 84.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.907 0.384 . . . . 0.0 111.154 177.755 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -60.16 -44.91 94.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.712 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.466 HG13 ' O ' ' A' ' 13' ' ' GLN . 59.6 mt -68.95 -36.11 72.41 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.729 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 80.9 mt -57.32 -40.09 77.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.194 179.543 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -66.76 -35.21 79.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.231 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -72.68 -34.79 67.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.574 -0.284 . . . . 0.0 110.509 177.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.536 HG21 HD11 ' A' ' 40' ' ' ILE . 70.5 t -64.12 -40.83 90.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.608 176.262 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 87.3 mt -55.42 -39.11 69.83 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-O 121.057 0.456 . . . . 0.0 110.586 176.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.541 ' O ' ' HG3' ' A' ' 27' ' ' GLU . 95.6 mttt -66.95 -46.97 73.07 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.466 178.381 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.7 ' HE2' ' HG2' ' A' ' 32' ' ' GLU . 38.2 mmtm -68.98 -31.79 70.89 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.349 -0.387 . . . . 0.0 112.015 -177.111 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.66 -35.34 72.8 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.036 0.446 . . . . 0.0 110.217 175.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -70.76 -38.16 73.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.648 176.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.541 ' HG3' ' O ' ' A' ' 23' ' ' LYS . 43.8 mt-10 -69.46 -37.96 77.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.728 177.618 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 88.22 30.73 15.93 Favored Glycine 0 N--CA 1.445 -0.7 0 C-N-CA 121.062 -0.59 . . . . 0.0 112.084 179.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.702 ' O ' ' HB2' ' A' ' 33' ' ' LEU . 20.1 t70 -100.55 109.24 21.32 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 179.617 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -77.69 -20.78 53.05 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.512 -174.017 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -69.81 -50.64 40.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.646 0.26 . . . . 0.0 110.999 -176.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.7 ' HG2' ' HE2' ' A' ' 24' ' ' LYS . 5.6 tp10 -73.97 -38.49 64.16 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.985 0.421 . . . . 0.0 109.884 176.567 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.702 ' HB2' ' O ' ' A' ' 29' ' ' ASP . 0.8 OUTLIER -58.75 -46.23 87.91 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.996 -176.278 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.23 -45.08 93.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.788 0.328 . . . . 0.0 110.528 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -59.07 -47.93 83.44 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.033 177.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.486 ' O ' HG13 ' A' ' 40' ' ' ILE . 81.0 mt -63.04 -44.56 95.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.559 178.579 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -56.45 -46.66 80.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.123 176.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.552 ' OE1' ' HA ' ' A' ' 38' ' ' GLN . 7.4 mm-40 -59.8 -44.84 93.76 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 115.296 -0.865 . . . . 0.0 111.423 178.035 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -64.67 -35.08 79.89 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.404 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.536 HD11 HG21 ' A' ' 21' ' ' VAL . 63.6 mt -62.65 -49.55 83.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.619 0.247 . . . . 0.0 110.476 177.523 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.647 HG13 HG23 ' A' ' 78' ' ' ILE . 84.4 t -54.63 -44.78 71.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.997 0.427 . . . . 0.0 110.676 178.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.6 mtpm? -63.42 -40.53 97.42 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.352 179.116 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.55 -46.3 66.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.181 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.473 ' O ' HG23 ' A' ' 48' ' ' VAL . 5.3 mm-40 -57.74 -47.08 83.46 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.761 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.566 ' HG3' HD13 ' A' ' 78' ' ' ILE . 56.6 mttm -69.97 -32.35 70.53 Favored 'General case' 0 CA--C 1.52 -0.197 0 N-CA-C 111.968 0.359 . . . . 0.0 111.968 -179.015 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 48.2 tp60 -64.61 -38.39 90.84 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 175.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -65.3 -47.06 83.91 Favored Glycine 0 N--CA 1.447 -0.608 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.448 174.042 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 44' ' ' GLU . 73.6 t -54.12 -41.85 52.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.008 0.432 . . . . 0.0 110.358 176.56 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -59.15 -51.49 69.78 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.326 -178.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 8.0 m -71.9 -32.0 42.84 Favored 'Isoleucine or valine' 0 C--O 1.237 0.418 0 N-CA-C 112.254 0.465 . . . . 0.0 112.254 -178.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -69.84 -51.23 35.27 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.498 0.19 . . . . 0.0 111.099 177.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -57.67 -36.56 72.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.158 -0.473 . . . . 0.0 109.999 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -56.9 -49.27 76.09 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.481 176.323 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.84 -35.62 64.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.883 -178.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.06 -46.12 79.05 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -173.055 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -81.27 -4.28 55.08 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.735 0.303 . . . . 0.0 111.595 -175.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 39.0 mtmt -118.32 17.92 13.78 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.135 0.493 . . . . 0.0 110.603 177.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -84.06 130.95 34.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.488 177.192 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 60.9 mtt180 -98.67 22.65 9.69 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.411 -176.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.414 ' O ' ' HB2' ' A' ' 64' ' ' ARG . 26.0 t-20 -141.18 118.06 7.6 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.197 176.735 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -63.35 -32.55 72.15 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.99 2.46 . . . . 0.0 113.343 -175.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -66.38 -43.88 84.67 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.104 0.478 . . . . 0.0 110.466 -176.477 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.403 ' O ' HG13 ' A' ' 67' ' ' ILE . 62.9 mttm -75.81 -33.71 60.13 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.215 176.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.414 ' HB2' ' O ' ' A' ' 60' ' ' ASN . 2.1 tmt_? -59.24 -43.42 92.4 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.359 -178.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -63.58 -42.18 98.32 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.028 179.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 91.8 t -59.52 -49.02 85.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.751 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 63' ' ' LYS . 63.1 mt -60.33 -40.9 85.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.973 -179.087 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -65.79 -44.24 86.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.662 -0.245 . . . . 0.0 111.327 -178.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -59.55 -44.64 93.19 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.715 0.293 . . . . 0.0 110.906 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.491 HG23 ' ND1' ' A' ' 107' ' ' HIS . 38.5 mt -68.74 -38.02 78.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.048 178.102 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.404 HD22 ' HA ' ' A' ' 71' ' ' LEU . 0.8 OUTLIER -55.98 -49.47 73.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.35 179.129 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -67.59 -35.43 78.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.612 179.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.463 ' HB3' ' CE1' ' A' ' 107' ' ' HIS . 0.4 OUTLIER -63.26 -43.8 96.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.286 0.565 . . . . 0.0 110.296 178.593 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -62.49 -41.58 98.89 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.133 -0.939 . . . . 0.0 110.903 -174.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.549 ' HA ' HD12 ' A' ' 78' ' ' ILE . 55.7 mm-40 -66.73 -34.86 78.77 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.878 0.37 . . . . 0.0 110.888 174.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -60.63 -35.78 77.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.415 178.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.509 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 44.4 m170 -63.35 -47.92 80.14 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.752 0.786 . . . . 0.0 109.735 177.103 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.647 HG23 HG13 ' A' ' 41' ' ' VAL . 63.7 mt -60.19 -38.04 75.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 114.394 -1.276 . . . . 0.0 111.116 -178.711 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -55.79 -40.11 72.21 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.805 177.239 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.422 ' CZ2' HD22 ' A' ' 96' ' ' LEU . 19.3 t-105 -70.13 -54.86 11.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.921 177.534 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 49.8 m-70 -56.29 -41.28 75.64 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 111.793 0.294 . . . . 0.0 111.793 -177.245 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 46.6 tttm -63.99 -40.2 95.84 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.987 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -73.39 -33.34 64.96 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 178.338 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.05 -19.91 58.21 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 -169.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.4 p -79.01 84.17 5.04 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.372 0.606 . . . . 0.0 111.912 -176.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -144.51 153.65 42.07 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.989 176.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 7.3 mp0 -66.03 122.12 16.67 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.911 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 109.75 8.84 25.73 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 121.018 -0.61 . . . . 0.0 112.621 179.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -119.9 117.75 28.94 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.672 0.272 . . . . 0.0 110.499 179.182 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -155.72 -53.37 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.315 0.578 . . . . 0.0 110.071 177.366 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.432 ' HG3' ' H ' ' A' ' 91' ' ' GLU . 0.0 OUTLIER -62.06 -46.7 87.95 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.512 -179.893 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.409 ' H ' ' CD ' ' A' ' 91' ' ' GLU . 5.2 tp-100 -67.47 -45.68 75.23 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.388 0.613 . . . . 0.0 110.053 178.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.65 ' O ' HG23 ' A' ' 97' ' ' VAL . 51.5 t80 -57.07 -43.62 82.25 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.02 -0.991 . . . . 0.0 111.332 -177.58 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.64 -45.55 81.53 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 -175.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.585 ' O ' ' HG2' ' A' ' 98' ' ' GLN . 39.0 m -65.0 -35.92 82.74 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.426 -178.014 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.422 HD22 ' CZ2' ' A' ' 80' ' ' TRP . 10.7 mp -74.66 -32.63 62.31 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -179.122 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 93' ' ' PHE . 84.2 t -61.5 -35.07 64.49 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -175.174 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.585 ' HG2' ' O ' ' A' ' 95' ' ' SER . 3.9 pt20 -56.78 -32.06 65.26 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 116.773 -0.194 . . . . 0.0 111.295 -176.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -67.53 -41.34 84.51 Favored 'General case' 0 C--O 1.226 -0.176 0 CA-C-N 116.879 -0.146 . . . . 0.0 111.07 178.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.509 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 9.8 t-160 -61.45 -38.8 88.51 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 177.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.545 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 46.7 tp -58.86 -48.77 80.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.828 178.336 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -68.93 -37.06 78.66 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 121.084 0.468 . . . . 0.0 111.036 178.192 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -59.25 -49.29 78.4 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.51 -177.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.53 ' O ' HG23 ' A' ' 108' ' ' VAL . 20.8 mm-40 -66.44 -29.59 69.76 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.998 -0.281 . . . . 0.0 110.638 -178.228 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.545 ' HG3' ' O ' ' A' ' 101' ' ' LEU . 77.2 mt-30 -63.54 -36.49 83.95 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 174.613 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.441 ' HD3' ' HA ' ' A' ' 106' ' ' ARG . 27.8 mmt180 -72.76 -32.79 65.9 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.34 176.08 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.491 ' ND1' HG23 ' A' ' 70' ' ' ILE . 15.2 m170 -59.95 -44.93 94.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.442 0.639 . . . . 0.0 109.544 171.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.761 HG13 HD11 ' A' ' 8' ' ' LEU . 87.0 t -62.92 -36.56 76.17 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.322 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.054 176.734 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.518 ' HG2' ' O ' ' A' ' 105' ' ' GLN . 19.0 mm-40 -56.18 -35.06 66.82 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.081 0.467 . . . . 0.0 111.306 179.104 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.438 ' O ' ' HE2' ' A' ' 113' ' ' LYS . 65.8 mm-40 -71.61 -35.14 70.38 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.337 178.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 25.8 mt -86.08 -48.94 15.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.153 0.501 . . . . 0.0 111.069 -176.113 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.518 ' HA ' ' ND2' ' A' ' 115' ' ' ASN . 53.3 tp10 -81.26 46.07 0.9 Allowed 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.865 -176.075 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.438 ' HE2' ' O ' ' A' ' 110' ' ' GLU . 64.7 mttm -80.71 -48.22 12.86 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 173.349 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 50.8 mtpt -140.99 90.38 2.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.746 177.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.518 ' ND2' ' HA ' ' A' ' 112' ' ' GLU . 92.5 m-20 . . . . . 0 C--O 1.246 0.874 0 CA-C-O 118.064 -0.969 . . . . 0.0 109.659 179.131 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.741 ' HG2' ' H ' ' A' ' 2' ' ' ASP . 15.4 ttt . . . . . 0 N--CA 1.481 1.095 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.741 ' H ' ' HG2' ' A' ' 1' ' ' MET . 6.6 t0 -71.74 80.08 0.85 Allowed 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.086 0.47 . . . . 0.0 109.808 177.644 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.75 ' HG3' ' HB2' ' A' ' 5' ' ' ARG . 11.0 pt-20 -149.81 -20.64 0.26 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.694 -174.503 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 88.9 mt 61.32 32.34 19.21 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 121.503 0.668 . . . . 0.0 110.118 -178.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.75 ' HB2' ' HG3' ' A' ' 3' ' ' GLU . 17.7 ttt85 -59.54 -40.52 87.47 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.744 -1.116 . . . . 0.0 111.419 -174.502 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -62.26 -43.23 99.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.404 -177.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 89.8 mt -71.69 -42.95 66.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.178 -178.206 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.851 HD21 HG21 ' A' ' 111' ' ' ILE . 80.1 mt -66.3 -31.94 73.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.233 -176.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -60.13 -34.75 73.95 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.706 -178.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.554 ' HB1' ' HA2' ' A' ' 47' ' ' GLY . . . -71.92 -46.94 55.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.559 -178.14 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -63.09 -39.02 93.46 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.158 0.504 . . . . 0.0 109.701 177.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 77.1 mm-40 -65.41 -33.19 75.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.494 177.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 59.2 tp60 -64.27 -46.5 83.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.301 -179.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.547 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -59.4 -45.83 94.86 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.747 -0.739 . . . . 0.0 111.897 177.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.459 ' HA ' HD12 ' A' ' 18' ' ' LEU . 79.9 mt -58.37 -41.15 80.65 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-O 120.733 0.301 . . . . 0.0 110.961 178.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.53 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 57.5 tttm -64.65 -47.07 79.86 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 121.029 -0.269 . . . . 0.0 110.56 179.665 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.518 ' O ' HG23 ' A' ' 21' ' ' VAL . 65.7 mt -62.94 -34.17 64.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.558 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 83.6 mt -57.42 -42.64 82.77 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.03 0.443 . . . . 0.0 110.42 174.764 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.424 ' HB3' ' NZ ' ' A' ' 19' ' ' LYS . 8.7 mtpm? -67.02 -38.45 85.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.867 178.377 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.53 ' HG2' ' O ' ' A' ' 16' ' ' LYS . 53.8 mm-40 -62.82 -43.26 99.28 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 121.134 0.492 . . . . 0.0 109.859 178.201 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 17' ' ' ILE . 88.7 t -62.38 -40.79 89.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.122 -179.649 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.524 HD21 ' HB ' ' A' ' 97' ' ' VAL . 82.8 mt -55.11 -40.44 70.48 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.147 0.499 . . . . 0.0 111.144 179.528 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -66.87 -45.07 79.26 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.845 -178.224 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.3 tppt? -77.41 -28.44 52.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.934 0.397 . . . . 0.0 111.246 -178.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.73 -32.03 73.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.517 178.051 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -71.5 -32.0 67.73 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 176.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -65.65 -42.81 90.99 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.929 174.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 84.36 42.13 7.59 Favored Glycine 0 N--CA 1.449 -0.478 0 CA-C-N 115.735 -0.666 . . . . 0.0 112.636 176.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -91.75 111.21 22.64 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.021 -0.362 . . . . 0.0 110.021 178.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -61.7 -39.52 91.77 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.689 -177.179 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -68.95 -48.16 63.9 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.026 -173.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.472 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 42.2 mt-10 -71.55 -37.69 71.08 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.045 178.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 33' ' ' LEU . 7.1 mt -58.78 -36.41 74.36 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 111.613 0.227 . . . . 0.0 111.613 179.183 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.91 -42.24 98.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.166 0.508 . . . . 0.0 110.387 177.245 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 23.0 ttm180 -71.29 -35.35 71.28 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.428 177.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' A' ' 32' ' ' GLU . 81.1 mt -62.72 -39.83 95.26 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.64 -0.254 . . . . 0.0 110.827 176.361 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.454 ' O ' HG23 ' A' ' 41' ' ' VAL . 3.5 t-20 -57.43 -45.28 84.85 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 174.254 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.428 ' OE1' ' HA ' ' A' ' 38' ' ' GLN . 14.4 mm-40 -62.85 -44.6 95.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.991 176.175 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -61.71 -42.98 99.67 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.205 -177.422 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 36' ' ' LEU . 65.8 mt -59.62 -45.14 94.47 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-O 120.634 0.254 . . . . 0.0 110.468 179.029 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 37' ' ' ASN . 84.8 t -59.2 -46.33 92.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.268 179.129 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -64.11 -36.71 84.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.505 178.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.26 -48.2 57.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.323 -177.174 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.609 ' O ' HG23 ' A' ' 48' ' ' VAL . 7.8 mm-40 -62.83 -44.7 95.44 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.097 -0.502 . . . . 0.0 109.974 179.537 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.467 ' HD3' ' HA ' ' A' ' 45' ' ' LYS . 55.9 mmtt -60.28 -33.94 73.05 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.822 178.412 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 50.1 tp60 -60.75 -43.6 97.76 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 177.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.554 ' HA2' ' HB1' ' A' ' 10' ' ' ALA . . . -70.15 -46.39 50.91 Favored Glycine 0 N--CA 1.448 -0.553 0 CA-C-N 115.483 -0.78 . . . . 0.0 112.646 177.211 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.609 HG23 ' O ' ' A' ' 44' ' ' GLU . 48.7 t -59.53 -41.92 86.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 122.874 -0.192 . . . . 0.0 111.447 -176.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 48.7 tttp -56.64 -49.57 74.63 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.29 -176.552 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 24.3 m -70.65 -35.04 59.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -69.37 -36.68 77.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.506 0.193 . . . . 0.0 111.0 177.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -56.62 -43.17 79.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.712 0.291 . . . . 0.0 110.81 176.543 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -68.57 -45.99 70.62 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.469 176.275 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.7 -33.03 74.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.525 -0.761 . . . . 0.0 112.494 -174.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.53 -42.5 78.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.025 0.441 . . . . 0.0 111.728 -177.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -99.36 14.39 29.85 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.976 -178.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -127.78 15.65 6.94 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 174.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.52 141.92 53.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.921 -1.036 . . . . 0.0 111.467 -177.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 83.2 mtm180 -79.85 -25.29 40.8 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.897 -178.123 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.554 ' HB2' ' HG2' ' A' ' 63' ' ' LYS . 16.1 m120 -128.43 135.25 27.27 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.369 -177.228 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -57.7 -38.26 93.82 Favored 'Trans proline' 0 CA--C 1.53 0.306 0 C-N-CA 122.79 2.327 . . . . 0.0 112.611 178.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -64.49 -35.94 82.57 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 121.021 0.439 . . . . 0.0 110.6 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.554 ' HG2' ' HB2' ' A' ' 60' ' ' ASN . 72.8 mmtt -71.27 -33.73 70.03 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.406 -178.625 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 23.5 ttt180 -64.27 -39.32 93.69 Favored 'General case' 0 C--O 1.227 -0.12 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 175.438 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -55.44 -44.06 75.96 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.146 177.1 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 87.7 t -65.28 -50.89 70.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.875 177.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 63' ' ' LYS . 76.2 mt -60.64 -43.74 95.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.234 -177.541 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -66.4 -39.86 89.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.753 0.311 . . . . 0.0 110.684 -178.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -59.89 -42.45 93.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.219 0.533 . . . . 0.0 109.601 177.017 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 45.6 mt -70.61 -38.08 72.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.832 176.106 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 16.2 mt -55.6 -39.58 70.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.854 0.359 . . . . 0.0 111.53 176.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -68.42 -41.19 80.73 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.826 174.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.435 ' HB3' ' CE1' ' A' ' 107' ' ' HIS . 0.2 OUTLIER -71.81 -47.38 53.68 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.635 -0.711 . . . . 0.0 112.216 -174.74 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.588 ' HB3' HG22 ' A' ' 48' ' ' VAL . 1.2 tp10 -60.93 -36.84 80.38 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.952 -172.349 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.604 ' OE2' HG11 ' A' ' 48' ' ' VAL . 65.3 mm-40 -69.45 -41.49 76.18 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.275 0.559 . . . . 0.0 110.388 173.212 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -59.72 -34.33 72.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.681 179.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.582 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 62.5 m170 -64.13 -47.89 78.21 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.485 177.321 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.417 HG13 ' O ' ' A' ' 74' ' ' GLU . 62.9 mt -58.59 -49.75 81.37 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.78 -178.088 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -63.79 -34.2 77.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.806 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 30.6 t-105 -61.13 -56.56 19.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.561 179.126 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.454 ' HE1' HG22 ' A' ' 97' ' ' VAL . 50.1 m-70 -60.08 -46.4 89.72 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -179.292 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.46 ' HD2' ' HA ' ' A' ' 82' ' ' LYS . 39.3 tptt -62.83 -44.01 97.27 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.769 -0.372 . . . . 0.0 111.133 -174.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.34 -36.07 82.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.893 0.378 . . . . 0.0 111.307 -178.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.15 -24.26 57.93 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.019 0.438 . . . . 0.0 111.311 -179.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 19.3 m -90.41 23.4 2.98 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.931 -177.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -71.98 -17.21 62.07 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.214 -178.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -117.43 -41.92 2.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.006 177.349 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 104.72 97.18 2.46 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.426 -0.892 . . . . 0.0 113.075 175.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -122.25 167.87 12.71 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 178.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -111.02 -74.36 0.65 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.836 0.351 . . . . 0.0 111.365 -178.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -69.41 -40.06 77.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.883 0.373 . . . . 0.0 111.02 -175.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -64.34 -34.83 79.05 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.234 0.54 . . . . 0.0 109.933 178.099 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -67.98 -38.68 83.01 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.221 176.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.24 -33.42 75.78 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.073 178.192 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 21.5 t -63.64 -33.08 74.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.36 178.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 9.8 mp -69.95 -35.05 74.2 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.543 177.14 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.524 ' HB ' HD21 ' A' ' 22' ' ' LEU . 39.9 t -65.24 -34.54 71.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.229 178.039 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -56.4 -45.1 80.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.07 179.623 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -67.89 -37.73 82.12 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.057 0.456 . . . . 0.0 110.256 178.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.582 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 3.9 t-160 -60.15 -43.09 96.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.861 177.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.497 ' HG ' HE21 ' A' ' 105' ' ' GLN . 51.7 tp -62.93 -48.32 79.44 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.937 -179.528 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -58.52 -38.96 78.81 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 121.449 0.642 . . . . 0.0 110.039 177.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -65.19 -49.39 69.94 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.814 -1.085 . . . . 0.0 111.85 -178.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.435 ' O ' ' HB2' ' A' ' 107' ' ' HIS . 27.2 mm-40 -65.44 -26.59 68.03 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.585 0.231 . . . . 0.0 110.712 -177.709 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.497 HE21 ' HG ' ' A' ' 101' ' ' LEU . 80.8 mt-30 -61.53 -41.03 96.73 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.219 175.449 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 64.0 mtt180 -72.55 -29.72 63.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.942 176.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.539 ' O ' HG12 ' A' ' 111' ' ' ILE . 14.7 m170 -57.26 -45.38 84.08 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 173.265 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 104' ' ' GLU . 28.1 t -68.83 -35.77 71.05 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.141 176.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.401 ' HG3' ' O ' ' A' ' 105' ' ' GLN . 36.4 mt-10 -55.75 -45.94 77.96 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 111.868 0.321 . . . . 0.0 111.868 -177.548 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.57 -28.87 67.34 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.343 179.567 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.851 HG21 HD21 ' A' ' 8' ' ' LEU . 36.0 mm -64.22 -65.94 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.773 0.32 . . . . 0.0 110.79 179.426 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -112.33 -113.58 0.33 Allowed 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.184 -176.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -151.11 98.13 2.53 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.641 -177.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp 46.73 84.02 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.505 0.722 . . . . 0.0 112.872 177.001 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.418 ' HB2' ' CG1' ' A' ' 108' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--O 1.25 1.119 0 CA-C-O 118.468 -0.777 . . . . 0.0 109.622 176.19 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.48 1.031 0 CA-C-O 120.931 0.396 . . . . 0.0 110.104 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.844 ' HB3' ' HB3' ' A' ' 5' ' ' ARG . 8.3 t70 -134.02 138.53 45.44 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.548 -179.489 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.44 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 4.0 mp0 -54.5 -35.84 63.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 112.19 -176.215 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.519 ' O ' ' HG ' ' A' ' 8' ' ' LEU . 3.5 mm? -96.26 -37.2 10.63 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.582 0.229 . . . . 0.0 110.756 -176.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.844 ' HB3' ' HB3' ' A' ' 2' ' ' ASP . 2.7 tmt_? -58.84 -44.69 91.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.219 -178.666 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.0 -35.42 78.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.744 0.307 . . . . 0.0 111.062 178.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 3' ' ' GLU . 89.8 mt -65.26 -34.43 78.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.94 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' ' 4' ' ' LEU . 88.4 mt -59.2 -30.68 68.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.936 -173.341 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 35.9 mtmt -59.45 -36.44 75.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.723 0.297 . . . . 0.0 110.898 -178.29 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.73 -46.3 66.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 -177.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -66.38 -41.49 89.32 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.123 179.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 79.5 mm-40 -64.78 -35.75 82.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.104 177.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.3 tp60 -60.31 -46.44 89.85 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.597 178.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.652 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -60.05 -46.71 93.7 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.752 -0.737 . . . . 0.0 111.745 177.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.473 ' HA ' HD12 ' A' ' 18' ' ' LEU . 75.1 mt -57.7 -43.88 84.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.689 0.28 . . . . 0.0 111.1 178.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.438 ' HD3' ' C ' ' A' ' 16' ' ' LYS . 0.8 OUTLIER -59.55 -46.45 88.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.39 179.895 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.464 ' O ' HG23 ' A' ' 21' ' ' VAL . 72.1 mt -61.77 -41.46 90.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.556 178.546 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.652 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 94.3 mt -57.65 -37.28 73.1 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.175 179.407 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.421 ' HG3' ' O ' ' A' ' 15' ' ' ILE . 30.2 mtpp -64.17 -41.93 96.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.2 179.238 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -66.45 -34.53 78.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.733 -177.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 17' ' ' ILE . 60.2 t -60.94 -39.45 82.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.98 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 99.0 mt -59.43 -35.47 74.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.59 178.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 80.7 mttt -72.21 -42.73 65.43 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.335 179.116 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.413 ' HG3' ' CD1' ' A' ' 36' ' ' LEU . 75.7 mmtt -67.98 -21.13 65.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.469 -178.018 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.61 -42.66 93.16 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.351 179.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 59.8 mttm -73.23 -26.69 61.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.864 179.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -69.07 -41.63 77.31 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 174.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.36 19.29 78.43 Favored Glycine 0 N--CA 1.45 -0.406 0 CA-C-N 115.815 -0.63 . . . . 0.0 113.119 173.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -90.34 118.22 29.67 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.969 0.414 . . . . 0.0 110.844 -178.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -57.29 -42.49 81.79 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.689 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.515 ' O ' ' HB2' ' A' ' 35' ' ' ARG . 80.4 mt-30 -64.52 -44.87 89.51 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-O 120.504 0.193 . . . . 0.0 110.874 -173.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -62.98 -47.86 81.32 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.092 0.473 . . . . 0.0 110.622 175.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.503 HD22 ' CE2' ' A' ' 93' ' ' PHE . 19.0 mt -65.61 -45.78 81.83 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.492 -0.777 . . . . 0.0 112.295 -175.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.3 -34.61 77.73 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.905 0.383 . . . . 0.0 110.594 179.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.515 ' HB2' ' O ' ' A' ' 31' ' ' GLN . 33.8 ttt180 -65.04 -43.85 91.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.89 177.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.486 ' O ' HG13 ' A' ' 40' ' ' ILE . 41.8 mt -65.79 -39.19 90.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.86 177.14 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -61.03 -39.98 91.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 0.0 109.837 176.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -63.13 -42.18 99.45 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.56 175.474 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.458 ' HA ' ' HE3' ' A' ' 42' ' ' LYS . 69.1 mm-40 -58.95 -45.16 91.16 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.769 178.309 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.486 HG13 ' O ' ' A' ' 36' ' ' LEU . 81.4 mt -56.85 -49.12 79.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.196 -179.147 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.524 HG13 HG23 ' A' ' 78' ' ' ILE . 95.2 t -58.64 -56.51 16.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.645 -175.417 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.458 ' HE3' ' HA ' ' A' ' 39' ' ' GLU . 14.9 pttp -66.69 -35.88 81.2 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -178.477 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.38 -46.99 74.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.547 0.213 . . . . 0.0 111.222 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.413 ' O ' HG23 ' A' ' 48' ' ' VAL . 7.9 mt-10 -68.64 -35.16 76.91 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.726 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.622 ' HE2' HG21 ' A' ' 78' ' ' ILE . 57.3 mmtt -59.09 -44.05 91.87 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.802 0.334 . . . . 0.0 110.572 175.009 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.479 ' O ' HG23 ' A' ' 50' ' ' VAL . 54.6 tp60 -61.89 -41.15 97.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.809 176.737 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.83 -47.55 90.43 Favored Glycine 0 N--CA 1.448 -0.551 0 CA-C-N 115.771 -0.65 . . . . 0.0 112.727 178.396 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 44' ' ' GLU . 78.2 t -60.81 -40.33 84.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.778 0.323 . . . . 0.0 110.33 178.716 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 56.5 tttm -56.29 -49.85 73.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.106 178.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 46' ' ' GLN . 21.2 t -70.86 -46.14 69.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.116 -178.329 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -59.02 -45.45 90.67 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.442 -179.285 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.427 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 81.4 tttt -64.52 -35.27 80.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.688 -176.308 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -64.41 -47.63 78.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.447 179.049 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.98 -33.92 74.46 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.195 -178.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.33 -47.11 86.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.53 -179.116 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' ' 52' ' ' LYS . 9.7 pt-20 -82.46 -2.49 53.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.696 0.284 . . . . 0.0 111.724 -177.523 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -102.62 -5.57 23.72 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.874 0.368 . . . . 0.0 110.392 174.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -81.88 175.47 10.38 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.024 -178.018 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 56.7 mtm180 -110.03 141.01 43.44 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.888 -177.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.475 ' HA ' ' HD2' ' A' ' 61' ' ' PRO . 61.8 t30 71.07 112.84 0.03 OUTLIER Pre-proline 0 N--CA 1.466 0.364 0 O-C-N 124.326 1.017 . . . . 0.0 110.633 -176.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.475 ' HD2' ' HA ' ' A' ' 60' ' ' ASN . 12.7 Cg_endo -55.6 -21.38 31.05 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 123.746 2.964 . . . . 0.0 113.189 -175.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.481 ' O ' HG23 ' A' ' 66' ' ' VAL . 40.5 mt-10 -66.04 -40.68 91.2 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.699 0.285 . . . . 0.0 110.459 177.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -70.34 -34.6 72.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.206 0.526 . . . . 0.0 109.709 176.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -60.9 -43.19 98.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.232 173.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.583 ' HA ' ' HB3' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -63.19 -35.73 81.28 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.041 -179.08 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 62' ' ' GLU . 93.1 t -59.12 -47.75 89.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.114 0.483 . . . . 0.0 109.985 178.418 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.443 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 59.2 mt -69.32 -39.14 78.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.281 176.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.583 ' HB3' ' HA ' ' A' ' 65' ' ' GLN . 19.0 t70 -56.34 -37.63 70.25 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.634 177.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 22.8 mtpp -58.97 -45.61 90.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.043 0.449 . . . . 0.0 110.562 176.477 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.423 ' O ' ' HB2' ' A' ' 74' ' ' GLU . 37.4 mt -71.05 -38.21 70.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.366 177.235 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.465 HD12 ' HA ' ' A' ' 68' ' ' ASP . 68.1 mt -55.94 -43.22 77.23 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.068 0.461 . . . . 0.0 110.993 175.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -70.05 -46.81 64.2 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.138 178.084 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.425 ' CG ' ' HE2' ' A' ' 107' ' ' HIS . 8.4 t70 -62.06 -46.64 88.23 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.718 -178.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.423 ' HB2' ' O ' ' A' ' 70' ' ' ILE . 4.5 tp10 -63.58 -36.99 85.62 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.9 -173.184 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -62.57 -37.67 87.08 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 120.974 0.416 . . . . 0.0 110.84 176.015 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -60.68 -34.19 73.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.632 -179.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.565 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 60.0 m170 -63.92 -49.11 73.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.455 0.645 . . . . 0.0 110.062 177.004 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.622 HG21 ' HE2' ' A' ' 45' ' ' LYS . 45.4 mt -63.74 -45.93 95.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 114.767 -1.106 . . . . 0.0 110.716 -176.642 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -56.73 -34.39 67.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.065 178.283 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.459 ' HE1' ' HG ' ' A' ' 96' ' ' LEU . 22.7 t-105 -71.32 -57.64 4.27 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.569 178.703 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -62.14 -32.41 73.01 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 112.084 0.401 . . . . 0.0 112.084 -177.197 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 53.8 tttm -67.55 -46.68 72.02 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.01 0.433 . . . . 0.0 110.673 179.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.98 -38.87 69.62 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.666 179.288 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.06 -17.08 59.79 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.16 -0.473 . . . . 0.0 112.24 -174.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.0 t -63.4 106.02 0.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.948 0.404 . . . . 0.0 110.524 -178.136 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -142.44 -154.69 0.54 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.394 -178.339 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 24.3 mp0 -83.17 140.06 32.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.02 177.14 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 83.4 -96.86 1.96 Allowed Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 121.002 -0.618 . . . . 0.0 111.824 -178.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.401 ' O ' HD13 ' A' ' 33' ' ' LEU . 5.8 m-20 55.38 67.3 1.03 Allowed 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 122.731 0.413 . . . . 0.0 111.288 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -119.35 -76.03 0.58 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 111.932 0.345 . . . . 0.0 111.932 -178.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -65.38 -48.79 71.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.784 -172.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 -68.69 -40.78 79.87 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.201 0.524 . . . . 0.0 110.559 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.503 ' CE2' HD22 ' A' ' 33' ' ' LEU . 19.5 t80 -62.26 -40.2 95.41 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.825 -178.563 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.69 -28.81 70.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.966 179.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 11.9 m -77.06 -45.17 28.02 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.971 0.415 . . . . 0.0 110.431 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.459 ' HG ' ' HE1' ' A' ' 80' ' ' TRP . 4.2 mm? -69.7 -38.48 76.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.773 -177.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 10.7 p -63.32 -34.35 66.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.715 0.293 . . . . 0.0 110.991 -179.153 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -65.65 -36.87 84.93 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 179.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 73.0 mm-40 -65.81 -39.16 90.63 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.777 177.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.565 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 4.7 t-160 -57.94 -43.17 86.2 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.535 176.696 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 52.3 tp -59.66 -46.41 89.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.989 178.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -63.91 -37.85 88.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -61.29 -49.17 78.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.979 179.008 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.476 ' HG2' ' O ' ' A' ' 100' ' ' HIS . 23.8 mm-40 -65.23 -26.79 68.27 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.053 -176.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -65.28 -33.48 76.09 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.648 177.456 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.502 ' HA ' ' HG2' ' A' ' 109' ' ' GLU . 23.5 ttt85 -72.57 -32.79 66.31 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 174.407 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.595 ' O ' HG12 ' A' ' 111' ' ' ILE . 17.8 m170 -58.48 -41.76 86.0 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 178.359 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 91.8 t -58.27 -50.59 77.93 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.052 178.268 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.675 ' HB2' ' HD3' ' A' ' 113' ' ' LYS . 6.3 pt-20 -68.38 -34.65 76.43 Favored 'General case' 0 C--O 1.224 -0.251 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.978 -177.198 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -68.46 -29.8 68.51 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.311 -0.556 . . . . 0.0 110.464 177.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.595 HG12 ' O ' ' A' ' 107' ' ' HIS . 31.9 mm -66.12 -64.91 0.64 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.893 174.143 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.461 ' O ' ' HB2' ' A' ' 113' ' ' LYS . 11.1 pt-20 -126.17 -19.36 4.75 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 112.943 0.72 . . . . 0.0 112.943 -172.11 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.675 ' HD3' ' HB2' ' A' ' 109' ' ' GLU . 19.8 mmtm 69.84 151.62 0.09 Allowed 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.13 0.572 . . . . 0.0 111.56 -172.624 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 67.5 mttm 64.68 -89.53 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.809 178.083 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 . . . . . 0 C--O 1.251 1.18 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.376 -173.991 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.1 ptt? . . . . . 0 N--CA 1.482 1.165 0 CA-C-O 120.792 0.33 . . . . 0.0 110.703 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -105.64 -6.03 19.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.438 -176.248 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -77.5 110.06 11.97 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.522 -175.212 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.757 ' HA ' HD13 ' A' ' 7' ' ' LEU . 10.2 mp 69.7 2.13 3.68 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.51 0.724 . . . . 0.0 112.738 172.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 36.3 ttt180 -67.45 -37.67 83.31 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.923 0.392 . . . . 0.0 110.57 178.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -70.12 -35.52 74.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.465 178.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.757 HD13 ' HA ' ' A' ' 4' ' ' LEU . 8.4 mp -63.9 -29.33 70.52 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.514 -176.599 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 79.3 mt -59.72 -30.33 68.75 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.494 0.554 . . . . 0.0 112.494 -174.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -59.09 -44.93 91.96 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 111.773 0.286 . . . . 0.0 111.773 -174.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.89 -42.39 85.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.644 0.259 . . . . 0.0 110.901 -177.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -63.95 -41.8 97.49 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.196 0.522 . . . . 0.0 109.806 177.311 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -63.49 -35.12 79.41 Favored 'General case' 0 N--CA 1.457 -0.111 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.966 177.26 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.462 ' O ' HG13 ' A' ' 17' ' ' ILE . 40.6 mt-30 -62.57 -45.99 90.4 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.825 177.699 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.603 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -60.89 -46.21 95.01 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.574 -0.822 . . . . 0.0 111.523 176.401 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 80.4 mt -59.53 -42.9 89.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.75 -0.225 . . . . 0.0 110.998 177.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.617 ' HA ' ' HD3' ' A' ' 19' ' ' LYS . 82.7 tttt -57.31 -47.37 81.67 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.668 0.271 . . . . 0.0 110.792 179.568 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.462 HG13 ' O ' ' A' ' 13' ' ' GLN . 52.5 mt -63.95 -41.23 91.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.351 179.591 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.603 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 96.8 mt -57.6 -41.45 81.26 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.493 177.713 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.617 ' HD3' ' HA ' ' A' ' 16' ' ' LYS . 25.7 mtpp -61.37 -37.19 82.47 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.976 178.673 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -73.66 -41.85 62.14 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.534 178.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.476 HG13 HD22 ' A' ' 33' ' ' LEU . 66.7 t -59.64 -39.68 80.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.285 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 87.9 mt -55.03 -43.66 73.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.889 0.376 . . . . 0.0 111.102 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 38.9 mtmm -72.09 -44.02 63.9 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.03 0.443 . . . . 0.0 110.944 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -70.0 -28.3 65.4 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.858 -175.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.52 ' HA ' HD11 ' A' ' 33' ' ' LEU . . . -71.58 -35.87 70.69 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.818 0.342 . . . . 0.0 110.891 178.207 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -72.13 -31.81 66.35 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 121.138 0.494 . . . . 0.0 110.111 176.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -69.66 -30.77 68.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.364 175.235 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 86.77 31.54 17.86 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.974 -0.632 . . . . 0.0 112.105 179.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.495 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 40.8 t0 -96.61 80.34 3.09 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.353 0.597 . . . . 0.0 110.297 -179.642 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.438 ' HA ' HD12 ' A' ' 33' ' ' LEU . 37.8 mt-10 -69.76 -21.33 63.45 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.508 -175.344 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -64.03 -47.88 78.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.881 0.372 . . . . 0.0 110.533 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -71.46 -38.14 71.29 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.759 175.08 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.52 HD11 ' HA ' ' A' ' 25' ' ' ALA . 81.6 mt -57.06 -41.55 78.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.398 -178.048 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.54 -42.35 98.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.896 0.379 . . . . 0.0 111.035 178.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 16.1 ttm180 -71.44 -43.85 65.93 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.573 ' O ' HG13 ' A' ' 40' ' ' ILE . 93.7 mt -60.94 -38.72 86.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.508 178.573 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 44.4 t-20 -55.98 -48.08 76.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.885 177.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -60.68 -43.12 98.11 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.328 177.119 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -66.74 -34.69 78.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.854 -177.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.573 HG13 ' O ' ' A' ' 36' ' ' LEU . 86.0 mt -57.43 -46.67 85.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 175.533 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.829 HG13 HG23 ' A' ' 78' ' ' ILE . 89.6 t -55.58 -43.41 72.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.628 177.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -63.32 -38.7 92.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.013 179.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.15 -47.01 72.3 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.574 178.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.508 ' HG2' ' O ' ' A' ' 40' ' ' ILE . 5.7 mm-40 -59.27 -46.0 89.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.369 178.264 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.551 ' HE2' HG21 ' A' ' 78' ' ' ILE . 65.4 mmtt -60.92 -41.85 96.97 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.449 -179.739 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.419 ' O ' HG23 ' A' ' 50' ' ' VAL . 58.6 tp60 -60.83 -41.77 96.45 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 178.122 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.32 -46.83 93.63 Favored Glycine 0 N--CA 1.446 -0.659 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.936 176.271 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 44' ' ' GLU . 79.6 t -54.85 -41.55 57.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.672 0.272 . . . . 0.0 111.244 178.634 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.1 -43.88 97.88 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.934 0.397 . . . . 0.0 110.852 179.428 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.507 HG12 ' HG ' ' A' ' 7' ' ' LEU . 46.2 t -69.51 -39.93 79.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.212 179.275 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -61.87 -44.89 95.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.371 177.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.416 ' HG3' HD11 ' A' ' 71' ' ' LEU . 86.1 mttt -58.44 -37.8 76.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.421 178.023 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -67.54 -51.65 48.26 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.033 0.444 . . . . 0.0 110.317 177.192 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.98 -31.67 73.02 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.753 -177.058 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.15 -45.91 92.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.65 -179.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -83.22 -5.43 59.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.112 0.482 . . . . 0.0 110.442 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 42.5 mmtm -92.44 15.28 14.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.846 171.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -82.25 105.25 13.18 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.115 0.483 . . . . 0.0 111.702 -178.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -68.48 -27.3 66.02 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.817 171.324 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 25.5 t30 -125.81 122.71 24.6 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.811 -179.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_exo -53.55 -26.26 36.08 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 123.449 2.766 . . . . 0.0 113.634 -177.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -63.63 -33.45 75.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.023 0.44 . . . . 0.0 110.767 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 27.8 ttpp -72.34 -30.3 64.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.66 178.182 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 31.8 ttp85 -69.05 -37.89 78.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.027 178.227 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -57.28 -44.9 84.44 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.149 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 57.7 t -62.45 -44.35 99.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.191 0.52 . . . . 0.0 110.554 178.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 80.6 mt -67.73 -44.07 86.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.144 -179.059 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -59.93 -46.6 88.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.538 -179.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 56.8 tttm -59.44 -44.6 92.89 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.992 -179.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 78.5 mt -71.17 -43.61 74.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.26 179.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.416 HD11 ' HG3' ' A' ' 52' ' ' LYS . 5.4 tt -61.02 -49.54 76.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.726 -176.294 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -63.8 -35.12 79.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.476 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.502 ' HB3' ' CE1' ' A' ' 107' ' ' HIS . 22.8 t0 -66.39 -46.26 77.21 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.424 0.631 . . . . 0.0 109.518 176.034 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.28 -38.77 84.6 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.518 -177.487 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -68.61 -33.99 74.99 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-O 120.983 0.42 . . . . 0.0 110.436 177.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -67.79 -35.88 79.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.562 177.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 63.2 m170 -61.19 -47.64 85.21 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.288 0.566 . . . . 0.0 109.828 177.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.829 HG23 HG13 ' A' ' 41' ' ' VAL . 89.0 mt -57.75 -45.26 86.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.609 179.589 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -56.66 -41.32 77.06 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.056 177.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 33.1 t-105 -67.63 -48.59 66.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.875 0.369 . . . . 0.0 110.29 178.226 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 31.8 m-70 -58.66 -31.85 68.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.138 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.475 ' HG3' ' O ' ' A' ' 78' ' ' ILE . 51.6 mtpt -59.31 -46.56 88.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.827 0.346 . . . . 0.0 110.793 177.513 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.3 -44.54 62.58 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.348 178.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.11 -12.64 60.52 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 -172.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.2 p -93.97 12.73 25.15 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.934 -0.306 . . . . 0.0 111.384 -179.248 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -112.57 5.34 17.82 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 -177.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -140.06 175.94 9.17 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.861 177.383 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -90.11 105.41 3.23 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.302 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.613 ' HB3' ' HB2' ' A' ' 93' ' ' PHE . 13.0 m120 -125.6 119.82 29.12 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.687 0.279 . . . . 0.0 110.677 -179.404 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -127.02 -65.76 0.93 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.212 174.31 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -68.39 -47.11 68.19 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.23 0.538 . . . . 0.0 110.118 -179.022 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -65.98 -35.36 80.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.529 176.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.613 ' HB2' ' HB3' ' A' ' 89' ' ' ASN . 5.0 t80 -60.91 -47.41 86.55 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.793 -176.47 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.473 ' O ' ' HG3' ' A' ' 98' ' ' GLN . . . -57.15 -34.68 68.67 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.206 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 10.0 t -70.71 -39.84 73.19 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.651 -178.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -72.12 -34.92 68.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.166 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 93' ' ' PHE . 86.6 t -62.2 -36.39 74.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.76 178.773 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.473 ' HG3' ' O ' ' A' ' 94' ' ' ALA . 79.0 mt-30 -57.34 -42.19 81.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.611 177.38 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -63.32 -42.03 98.96 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.554 178.614 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.514 ' O ' ' HG2' ' A' ' 104' ' ' GLU . 5.6 t-160 -63.92 -45.24 90.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.863 177.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.463 ' HG ' HE21 ' A' ' 105' ' ' GLN . 54.8 tp -60.01 -48.8 80.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.192 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -64.72 -33.96 77.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.366 0.603 . . . . 0.0 110.451 178.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -63.4 -44.68 93.97 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.575 177.166 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.514 ' HG2' ' O ' ' A' ' 100' ' ' HIS . 17.9 mm-40 -70.35 -32.53 70.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.493 -178.614 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.463 HE21 ' HG ' ' A' ' 101' ' ' LEU . 77.8 mt-30 -61.02 -38.66 86.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.245 0.545 . . . . 0.0 109.996 176.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 65.8 mtm180 -64.58 -30.63 71.65 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.96 176.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.502 ' CE1' ' HB3' ' A' ' 73' ' ' ASP . 51.3 m170 -68.51 -49.91 56.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.926 175.333 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 48.2 t -65.9 -42.09 91.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.968 -175.02 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -57.0 -38.45 73.08 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 -175.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.419 ' O ' ' HG2' ' A' ' 113' ' ' LYS . 39.5 mt-10 -70.83 -28.76 64.84 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.674 0.273 . . . . 0.0 111.131 179.621 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 62.1 mt -78.56 -32.46 16.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.84 0.352 . . . . 0.0 111.333 -179.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -75.77 45.53 0.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.03 0.443 . . . . 0.0 111.811 -176.001 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.419 ' HG2' ' O ' ' A' ' 110' ' ' GLU . 70.9 mmtt -78.92 -58.01 3.46 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.243 178.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -93.6 11.66 28.03 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.103 -173.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 51.5 t30 . . . . . 0 C--O 1.247 0.957 0 CA-C-O 118.544 -0.741 . . . . 0.0 109.958 178.604 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.406 ' HG2' ' O ' ' A' ' 1' ' ' MET . 1.5 pmm? . . . . . 0 N--CA 1.477 0.923 0 CA-C-O 121.368 0.604 . . . . 0.0 110.078 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -164.19 162.85 22.92 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.864 -175.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -143.32 166.93 23.38 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 174.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -110.13 -23.93 11.0 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.875 -177.105 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 -68.79 -37.28 79.17 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 111.998 0.369 . . . . 0.0 111.998 -172.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.485 ' HA ' ' HD2' ' A' ' 9' ' ' LYS . 10.9 pt-20 -60.62 -35.32 75.87 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 120.756 -0.377 . . . . 0.0 110.825 179.064 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.456 HD21 HG11 ' A' ' 50' ' ' VAL . 94.4 mt -67.43 -36.88 82.09 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.181 0.515 . . . . 0.0 110.324 176.682 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.558 HD11 HG13 ' A' ' 108' ' ' VAL . 0.3 OUTLIER -67.19 -37.69 84.11 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.957 -0.756 . . . . 0.0 108.957 175.559 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.485 ' HD2' ' HA ' ' A' ' 6' ' ' GLU . 99.0 mttt -61.88 -35.07 77.25 Favored 'General case' 0 C--O 1.225 -0.191 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.881 177.15 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.25 -46.58 89.32 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.754 179.263 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -67.59 -39.28 84.8 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.592 177.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -63.72 -40.46 96.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.815 177.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.578 ' O ' HG13 ' A' ' 17' ' ' ILE . 48.4 tt0 -69.61 -37.42 76.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.921 177.28 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.492 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -58.15 -46.51 92.64 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.82 -0.705 . . . . 0.0 111.609 174.782 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 77.8 mt -63.59 -39.54 85.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.843 0.354 . . . . 0.0 110.301 175.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.416 ' HB3' ' O ' ' A' ' 13' ' ' GLN . 43.4 tttp -55.3 -48.23 74.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.867 175.761 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.584 ' O ' HG23 ' A' ' 21' ' ' VAL . 62.8 mt -62.05 -45.63 98.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.989 178.351 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.552 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 95.7 mt -57.78 -40.55 80.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.953 179.537 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp -63.33 -37.56 87.76 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.763 0.316 . . . . 0.0 111.238 178.371 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -73.24 -34.97 66.17 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.229 177.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 17' ' ' ILE . 89.7 t -62.86 -42.23 95.63 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.312 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.438 175.174 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 18' ' ' LEU . 93.4 mt -55.68 -40.17 71.95 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.712 0.291 . . . . 0.0 111.536 -179.506 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -68.35 -42.53 79.13 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.347 0.594 . . . . 0.0 110.351 179.008 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.864 ' HD3' ' HB3' ' A' ' 32' ' ' GLU . 98.4 mttt -83.54 -18.17 39.31 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.362 -0.835 . . . . 0.0 112.076 -173.289 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.31 -31.36 70.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.007 0.432 . . . . 0.0 110.25 175.13 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -69.59 -29.42 66.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.194 175.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -81.13 -35.5 31.48 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.279 -179.011 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.92 38.5 56.02 Favored Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.605 176.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -97.21 122.89 40.74 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.551 0.215 . . . . 0.0 110.448 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -64.92 -41.41 95.58 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.767 -176.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -63.66 -42.32 98.1 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.073 0.463 . . . . 0.0 110.389 -173.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.864 ' HB3' ' HD3' ' A' ' 24' ' ' LYS . 77.1 mm-40 -71.15 -46.56 61.23 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.473 176.522 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 17.3 mt -60.71 -45.63 93.49 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.995 -178.091 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.7 -45.13 91.41 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.566 0.222 . . . . 0.0 111.023 -178.023 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 21.4 ttm180 -59.5 -44.33 93.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.092 0.472 . . . . 0.0 110.344 178.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.732 HD11 ' HD2' ' A' ' 24' ' ' LYS . 81.6 mt -67.13 -45.19 77.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.907 179.568 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -58.87 -42.98 90.74 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.23 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -64.05 -42.07 97.17 Favored 'General case' 0 N--CA 1.441 -0.891 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.722 176.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.895 ' HA ' ' HE3' ' A' ' 42' ' ' LYS . 6.3 tp10 -60.55 -42.42 96.52 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.355 -179.723 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.533 HG13 ' O ' ' A' ' 36' ' ' LEU . 75.4 mt -58.44 -49.64 81.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.324 177.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 91.9 t -56.9 -44.67 82.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.944 178.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.895 ' HE3' ' HA ' ' A' ' 39' ' ' GLU . 33.6 mtmt -60.99 -47.24 87.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.264 178.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.17 -46.96 72.4 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.705 -176.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.476 ' O ' HG23 ' A' ' 48' ' ' VAL . 48.2 mt-10 -67.41 -40.78 85.57 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.219 -176.652 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.49 ' HE2' HG21 ' A' ' 78' ' ' ILE . 61.1 mttm -66.5 -32.08 73.22 Favored 'General case' 0 CA--C 1.52 -0.183 0 C-N-CA 120.752 -0.379 . . . . 0.0 111.128 179.016 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.421 ' O ' HG23 ' A' ' 50' ' ' VAL . 24.1 tm0? -61.06 -46.07 92.17 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 175.409 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -65.1 -47.17 84.56 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.852 -0.69 . . . . 0.0 111.988 178.206 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 44' ' ' GLU . 91.2 t -57.65 -41.5 79.42 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-O 120.765 0.317 . . . . 0.0 110.942 179.276 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -61.04 -43.52 98.77 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.682 -179.074 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.456 HG11 HD21 ' A' ' 7' ' ' LEU . 47.0 t -70.25 -41.22 78.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.724 178.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -60.64 -41.91 95.89 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.696 0.284 . . . . 0.0 110.535 177.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.567 ' HG2' HD11 ' A' ' 71' ' ' LEU . 6.7 tmtt? -60.58 -39.98 90.03 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.137 0.494 . . . . 0.0 110.507 176.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -67.22 -45.65 76.19 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.351 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.61 -32.94 68.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.997 -177.642 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.425 ' O ' ' HD2' ' A' ' 64' ' ' ARG . . . -62.82 -38.11 89.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.595 0.236 . . . . 0.0 111.626 -177.58 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -71.4 -23.03 61.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.132 0.491 . . . . 0.0 110.845 177.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -106.2 37.61 2.24 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.944 177.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.97 139.25 52.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.351 -0.84 . . . . 0.0 112.068 -177.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 79.4 mtt180 -102.15 -22.78 14.14 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.036 179.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -152.66 125.73 4.13 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.635 -178.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -50.18 -47.89 22.13 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 123.074 2.516 . . . . 0.0 112.906 178.158 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -61.03 -38.28 85.56 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.005 0.431 . . . . 0.0 110.955 179.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.834 ' HE3' ' HA ' ' A' ' 63' ' ' LYS . 0.7 OUTLIER -68.15 -42.23 80.41 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.298 179.104 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.425 ' HD2' ' O ' ' A' ' 55' ' ' ALA . 9.0 ttp180 -69.71 -29.52 66.94 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.661 -179.079 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.25 -42.35 86.21 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.118 0.485 . . . . 0.0 110.015 176.476 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 98.2 t -61.0 -47.4 93.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.514 175.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 75.4 mt -65.08 -45.95 92.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.988 -179.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -57.05 -45.52 83.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.661 -177.231 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.1 ttpm? -63.44 -43.8 96.37 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.808 -179.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 55.7 mt -70.17 -38.19 73.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.954 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.567 HD11 ' HG2' ' A' ' 52' ' ' LYS . 7.0 tt -57.92 -49.42 76.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.123 177.314 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -65.98 -38.81 89.49 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.609 179.117 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.402 ' O ' ' HB3' ' A' ' 76' ' ' LYS . 8.2 t70 -61.51 -49.24 77.54 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.71 178.728 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.428 ' O ' HG13 ' A' ' 78' ' ' ILE . 2.4 tp10 -65.62 -41.48 92.65 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.017 -0.992 . . . . 0.0 111.042 -172.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.47 -34.69 77.34 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 121.167 0.508 . . . . 0.0 110.007 174.277 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.902 ' HE3' ' HA ' ' A' ' 76' ' ' LYS . 0.6 OUTLIER -61.86 -36.67 81.92 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.486 179.857 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 51.5 m170 -64.96 -48.3 74.56 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.294 0.568 . . . . 0.0 110.485 177.116 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.49 HG21 ' HE2' ' A' ' 45' ' ' LYS . 52.3 mt -60.69 -38.42 78.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 114.922 -1.035 . . . . 0.0 111.007 -175.632 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -59.08 -39.55 82.47 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.665 -0.243 . . . . 0.0 110.681 176.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 21.3 t-105 -63.46 -50.88 67.99 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 177.012 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -62.59 -30.97 71.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.588 -179.63 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp -66.62 -46.76 74.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.858 0.361 . . . . 0.0 110.903 173.265 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.47 -29.96 66.66 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.331 -179.172 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.88 -19.36 64.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.34 179.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 38.2 t -64.23 -23.33 67.27 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.953 0.406 . . . . 0.0 110.479 177.028 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -124.88 21.4 8.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.069 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -156.41 33.36 0.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.762 0.791 . . . . 0.0 109.064 -177.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -82.52 77.11 2.14 Favored Glycine 0 N--CA 1.448 -0.518 0 CA-C-N 115.47 -0.786 . . . . 0.0 113.16 -174.18 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -94.7 122.55 37.43 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 173.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -52.4 -56.16 16.86 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -170.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.49 -37.63 77.3 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.716 0.293 . . . . 0.0 111.496 -175.033 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -64.5 -49.78 70.0 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.22 0.533 . . . . 0.0 109.996 177.322 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -60.88 -42.34 97.75 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.305 -0.862 . . . . 0.0 110.835 179.636 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.27 -21.33 66.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.506 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 27.2 m -83.58 -47.48 11.24 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.824 0.345 . . . . 0.0 110.514 178.02 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 10.4 mp -70.81 -31.8 68.66 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.659 -178.429 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 7.5 p -61.87 -33.74 59.39 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 CA-C-O 120.651 0.263 . . . . 0.0 110.781 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -59.96 -33.55 72.09 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.706 0.289 . . . . 0.0 110.959 177.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -66.8 -35.7 80.68 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.022 176.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -65.74 -42.39 91.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.45 178.357 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.55 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 3.9 mm? -58.17 -48.7 79.49 Favored 'General case' 0 N--CA 1.461 0.125 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.55 178.139 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -67.3 -38.7 85.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.059 -179.356 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -64.42 -49.0 73.25 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.712 -175.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -63.63 -29.77 70.97 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.539 0.209 . . . . 0.0 111.348 -176.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.55 ' HG3' ' O ' ' A' ' 101' ' ' LEU . 77.5 mt-30 -61.81 -40.06 93.93 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 177.623 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.59 ' HA ' ' HG2' ' A' ' 109' ' ' GLU . 1.1 mtp180 -65.68 -32.38 73.91 Favored 'General case' 0 C--O 1.224 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.961 176.637 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.462 ' O ' HG12 ' A' ' 111' ' ' ILE . 22.7 m170 -63.44 -39.34 94.23 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.318 179.165 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.558 HG13 HD11 ' A' ' 8' ' ' LEU . 59.0 t -67.64 -50.93 56.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.287 178.393 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.59 ' HG2' ' HA ' ' A' ' 106' ' ' ARG . 12.7 pt-20 -66.97 -32.2 73.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.122 -177.542 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.475 ' HB2' ' O ' ' A' ' 106' ' ' ARG . 4.0 tp10 -58.98 -36.47 74.91 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 176.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.462 HG12 ' O ' ' A' ' 107' ' ' HIS . 48.9 mm -74.45 -61.78 1.57 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.418 178.228 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.45 -66.6 0.46 Allowed 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 179.434 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.689 ' HG3' ' H ' ' A' ' 114' ' ' LYS . 46.7 pttt -164.54 -65.85 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 120.828 0.346 . . . . 0.0 111.862 -176.26 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.689 ' H ' ' HG3' ' A' ' 113' ' ' LYS . 73.0 mmtt -165.91 -36.03 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.079 0.952 . . . . 0.0 108.864 -170.298 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.444 HD22 ' HA ' ' A' ' 115' ' ' ASN . 2.6 t-20 . . . . . 0 C--O 1.243 0.759 0 CA-C-N 114.503 -1.226 . . . . 0.0 109.872 -178.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_