data_2n2y_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 2n2y _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 10' ' ' SER . . . . . . . . . . . . . 72.9 m . . . . . 0 N--CA 1.458 -0.058 0 CA-C-O 120.875 0.369 . . . . 0.0 110.58 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.422 ' CD1' ' N ' ' A' ' 11' ' ' ILE . 4.5 mp -124.33 127.13 72.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.417 179.605 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.2 m -118.85 176.19 5.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.51 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.411 ' CD ' ' N ' ' A' ' 13' ' ' ARG . 1.4 mpt_? -110.0 128.3 55.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.597 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.48 142.18 57.2 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.21 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -96.36 -42.5 8.1 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-O 120.96 0.409 . . . . 0.0 110.702 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.537 ' CG ' ' N ' ' A' ' 17' ' ' TRP . 0.0 OUTLIER -132.85 -171.55 2.7 Favored 'General case' 0 C--O 1.221 -0.445 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.673 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.537 ' N ' ' CG ' ' A' ' 16' ' ' LYS . 60.6 t90 -97.05 123.9 40.91 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.763 178.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 21' ' ' ILE . 37.9 t -154.51 154.16 32.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.521 179.645 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 -42.97 -30.64 0.43 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.407 -179.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -68.88 -41.37 78.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.713 179.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.447 ' N ' ' O ' ' A' ' 18' ' ' SER . 20.1 mm -77.18 -62.28 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.24 -179.469 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.548 ' OE1' ' CE1' ' A' ' 55' ' ' TYR . 39.5 tt0 -43.45 -46.88 6.95 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 -179.05 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -60.48 -50.8 72.12 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.905 179.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 39.4 mt -54.89 -39.18 68.46 Favored 'General case' 0 C--O 1.215 -0.723 0 C-N-CA 121.036 -0.266 . . . . 0.0 110.733 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -59.07 -49.56 77.4 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.706 0.289 . . . . 0.0 110.492 178.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 92.6 mtt180 -61.05 -49.86 75.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.804 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -63.99 -49.86 70.81 Favored 'General case' 0 CA--C 1.523 -0.065 0 CA-C-O 120.903 0.383 . . . . 0.0 110.891 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -53.65 -42.1 67.48 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.304 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.422 ' O ' ' NH2' ' A' ' 61' ' ' ARG . 62.2 mm-40 -59.67 -41.24 90.19 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.845 179.205 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.69 -16.41 64.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.407 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 104.68 7.79 38.56 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.486 -0.646 . . . . 0.0 111.486 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -105.3 146.44 29.34 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 120.993 0.425 . . . . 0.0 110.662 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.79 -35.43 33.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.378 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 51.5 p-10 -161.81 169.8 20.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.536 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.527 ' H ' ' CD ' ' A' ' 35' ' ' GLU . 10.8 mp0 -48.23 -34.52 10.35 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.322 -179.084 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 48.4 mm -55.01 -49.33 72.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.104 -178.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 46.8 tp10 -63.91 -39.05 93.28 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.959 0.409 . . . . 0.0 110.83 179.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 31.7 t80 -62.47 -47.41 84.13 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.497 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.548 ' O ' ' N ' ' A' ' 43' ' ' GLN . 98.6 mttt -59.05 -40.97 86.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.105 -178.317 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -61.77 -40.13 94.09 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.859 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 77.4 t -61.24 -45.03 99.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.955 -179.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.499 ' HZ1' ' CD ' ' A' ' 60' ' ' GLN . 9.3 mmtm -99.63 4.09 45.53 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.94 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.548 ' N ' ' O ' ' A' ' 39' ' ' LYS . 21.3 mp0 46.06 55.41 7.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.945 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 29.8 m -126.02 -172.64 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.597 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -135.33 -34.49 0.85 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.9 mmt -104.99 133.9 48.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.122 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.7 t -107.51 137.13 40.21 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.082 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -62.73 119.59 9.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.958 0.409 . . . . 0.0 110.779 -179.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 93.8 mtt-85 -140.7 158.57 43.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.672 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.466 ' O ' ' HA2' ' A' ' 54' ' ' GLY . 77.5 m95 -94.91 141.06 22.78 Favored Pre-proline 0 N--CA 1.45 -0.429 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.787 179.603 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.22 -31.48 44.36 Favored 'Trans proline' 0 C--N 1.303 -1.862 0 C-N-CA 122.691 2.261 . . . . 0.0 112.226 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -50.43 -52.33 38.68 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.811 -178.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.534 ' OG1' ' CD2' ' A' ' 55' ' ' TYR . 31.3 p -126.62 -33.78 2.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.218 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.466 ' HA2' ' O ' ' A' ' 50' ' ' TRP . . . 100.53 20.79 14.04 Favored Glycine 0 CA--C 1.519 0.308 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.336 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.548 ' CE1' ' OE1' ' A' ' 22' ' ' GLU . 31.4 m-85 -80.58 157.56 26.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.576 0.227 . . . . 0.0 110.578 179.656 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 40.2 t -67.63 127.98 30.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.864 0.364 . . . . 0.0 110.568 -179.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 50.9 tttm -72.29 -44.39 62.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.539 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -156.38 153.17 28.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.569 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -146.87 131.14 17.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.951 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.499 ' CD ' ' HZ1' ' A' ' 42' ' ' LYS . 11.4 tt0 -78.87 130.01 35.19 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.122 179.711 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.422 ' NH2' ' O ' ' A' ' 29' ' ' GLN . 46.9 mtp180 -78.88 174.76 11.17 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.031 -178.714 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 11.3 ttm180 -67.48 -16.84 64.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 123.836 0.71 . . . . 0.0 110.504 179.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -87.06 2.79 48.54 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.592 -178.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 73.59 37.37 0.7 Allowed 'General case' 0 N--CA 1.451 -0.408 0 CA-C-O 120.67 0.272 . . . . 0.0 110.984 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 44.8 p -123.98 133.11 53.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.609 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -77.74 123.38 26.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.504 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -114.83 121.07 42.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.437 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -81.85 135.31 35.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.373 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -110.94 152.42 26.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.758 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.506 HD22 ' CB ' ' A' ' 72' ' ' GLU . 14.5 t30 -94.82 110.27 22.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.81 179.749 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.9 pttp -60.29 -26.19 66.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.188 0.518 . . . . 0.0 110.632 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.506 ' CB ' HD22 ' A' ' 70' ' ' ASN . 13.1 mm-40 . . . . . 0 C--N 1.324 -0.512 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.492 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 99.2 mttt . . . . . 0 C--O 1.242 0.685 0 CA-C-O 121.699 0.761 . . . . 0.0 110.371 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.552 ' O ' ' N ' ' A' ' 83' ' ' VAL . 0.9 OUTLIER -82.63 -32.14 28.44 Favored 'General case' 0 C--O 1.222 -0.371 0 O-C-N 121.858 -0.526 . . . . 0.0 110.501 179.574 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 54.6 t -54.29 -49.37 64.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 179.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 73.2 m80 -68.0 -40.65 82.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.922 0.391 . . . . 0.0 110.68 -179.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.83 -22.95 58.41 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.149 179.575 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.552 ' N ' ' O ' ' A' ' 79' ' ' GLU . 71.7 t -88.34 136.15 23.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.02 0.438 . . . . 0.0 111.349 -178.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 30.6 mtmm -101.11 164.83 11.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.345 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 15.2 t -125.5 127.99 72.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.942 0.401 . . . . 0.0 110.122 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -91.24 137.66 32.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.701 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 4.3 m -122.2 134.42 65.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.712 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 48.6 p90 . . . . . 0 C--O 1.221 -0.415 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.551 179.803 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 74.9 m . . . . . 0 CA--C 1.526 0.055 0 CA-C-O 120.969 0.414 . . . . 0.0 110.543 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.7 mp -137.44 134.09 46.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.677 179.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.3 t -120.38 177.21 5.12 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.505 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -114.33 131.26 56.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.093 0.473 . . . . 0.0 110.536 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.79 153.12 40.88 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.73 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.9 mptt -95.44 -40.33 9.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.299 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -146.22 149.29 33.63 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.676 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.423 ' N ' ' CG2' ' A' ' 80' ' ' VAL . 53.3 t90 -53.73 139.2 33.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.992 -179.257 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.1 t -165.22 160.76 18.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.294 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -46.77 -33.31 4.28 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.539 -179.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -67.33 -45.89 75.07 Favored 'General case' 0 C--O 1.219 -0.545 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.67 179.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.421 HD11 ' N ' ' A' ' 21' ' ' ILE . 3.2 mm -66.44 -56.91 12.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 -178.633 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.461 ' CD ' ' N ' ' A' ' 23' ' ' ASN . 1.8 tm-20 -39.33 -47.86 1.79 Allowed 'General case' 0 CA--C 1.513 -0.456 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.941 -179.395 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.461 ' N ' ' CD ' ' A' ' 22' ' ' GLU . 1.0 OUTLIER -59.86 -50.11 75.09 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.328 0.585 . . . . 0.0 111.084 -179.878 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.401 HD22 ' N ' ' A' ' 24' ' ' LEU . 3.8 mm? -53.99 -48.75 70.07 Favored 'General case' 0 C--O 1.213 -0.828 0 C-N-CA 120.474 -0.49 . . . . 0.0 110.86 -178.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -59.24 -48.89 79.93 Favored 'General case' 0 C--N 1.317 -0.845 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.306 179.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.522 ' NH2' ' O ' ' A' ' 70' ' ' ASN . 88.7 mtt180 -60.57 -48.38 82.05 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.644 -0.422 . . . . 0.0 111.146 -179.117 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.403 ' CE1' ' OD1' ' A' ' 23' ' ' ASN . 38.8 m-85 -66.91 -44.36 80.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.018 0.437 . . . . 0.0 110.426 179.586 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.475 ' NE2' ' O ' ' A' ' 84' ' ' LYS . 60.9 mt-30 -55.85 -41.35 74.19 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.582 179.72 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -64.1 -37.76 88.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.203 178.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.93 -16.79 64.56 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.429 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 102.83 8.72 41.83 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -109.68 146.94 33.99 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-O 121.009 0.433 . . . . 0.0 110.869 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.28 -35.67 61.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.245 179.608 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.536 ' CG ' ' N ' ' A' ' 35' ' ' GLU . 5.3 t70 -163.29 171.12 16.61 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.385 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.536 ' N ' ' CG ' ' A' ' 34' ' ' ASP . 8.7 pt-20 -50.63 -28.48 8.9 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.554 -179.633 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 83.6 mt -59.01 -48.98 84.88 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 C-N-CA 120.713 -0.395 . . . . 0.0 111.14 -179.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -66.45 -39.38 88.84 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.664 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 36.2 t80 -59.47 -47.57 84.98 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.389 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.463 ' O ' ' N ' ' A' ' 43' ' ' GLN . 44.2 mtmt -60.56 -40.01 90.08 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.97 -179.607 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -62.92 -41.66 99.54 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.862 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 78.7 t -63.7 -44.62 98.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.106 -179.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.2 mmtp -91.57 -1.13 57.6 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.782 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 39' ' ' LYS . 97.9 mt-30 50.6 48.63 22.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.77 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 28.2 m -127.59 -174.24 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.399 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -141.42 23.44 2.15 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.778 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 4.4 mtp -158.58 139.82 13.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.816 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.0 t -111.94 135.26 51.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -67.29 118.58 10.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.476 -179.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 31.3 mtt180 -137.04 166.08 24.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.573 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.509 ' O ' ' N ' ' A' ' 54' ' ' GLY . 71.8 m95 -95.85 140.61 22.38 Favored Pre-proline 0 C--O 1.218 -0.553 0 C-N-CA 120.288 -0.565 . . . . 0.0 111.101 -179.569 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -65.71 -30.52 50.44 Favored 'Trans proline' 0 C--N 1.302 -1.914 0 C-N-CA 122.446 2.098 . . . . 0.0 112.697 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.492 ' OE1' ' CE ' ' A' ' 71' ' ' LYS . 96.3 mt-10 -52.59 -49.68 64.56 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.681 -178.221 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.514 ' OG1' ' CD2' ' A' ' 55' ' ' TYR . 71.3 p -125.2 -31.04 3.11 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.961 -0.296 . . . . 0.0 111.036 179.557 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 50' ' ' TRP . . . 94.95 18.87 32.89 Favored Glycine 0 N--CA 1.464 0.534 0 C-N-CA 120.669 -0.776 . . . . 0.0 111.335 -179.67 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.514 ' CD2' ' OG1' ' A' ' 53' ' ' THR . 25.0 m-85 -81.4 158.36 24.66 Favored 'General case' 0 CA--C 1.515 -0.373 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.981 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.515 ' O ' ' NH1' ' A' ' 26' ' ' ARG . 87.2 t -61.59 122.48 12.32 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.681 -178.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 44.5 tttm -72.96 -45.38 58.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.556 179.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -151.79 153.04 33.5 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.596 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -146.07 138.04 25.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.779 179.577 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -85.21 132.64 34.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.952 0.406 . . . . 0.0 110.494 179.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.1 mmm180 -76.42 166.32 23.58 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.789 -179.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 10.1 mtt-85 -66.26 -7.1 16.39 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.235 179.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.438 ' O ' ' CB ' ' A' ' 64' ' ' ASN . 98.0 m-20 -101.87 8.35 41.27 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.17 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.438 ' CB ' ' O ' ' A' ' 63' ' ' ASP . 2.1 m-20 79.76 -2.95 2.06 Favored 'General case' 0 C--O 1.233 0.228 0 O-C-N 123.284 0.365 . . . . 0.0 110.679 179.506 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 24.3 p -80.86 126.68 31.64 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.57 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -71.97 131.14 42.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.528 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -119.93 116.64 26.2 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.01 0.433 . . . . 0.0 110.259 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -82.42 139.34 34.07 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.485 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -114.22 150.95 33.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.982 179.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.522 ' O ' ' NH2' ' A' ' 26' ' ' ARG . 5.0 p-10 -98.17 124.2 42.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.596 179.595 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.492 ' CE ' ' OE1' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -64.3 -17.36 63.58 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.379 0.609 . . . . 0.0 110.627 179.423 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 . . . . . 0 C--N 1.321 -0.673 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 -179.803 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.9 mmmt . . . . . 0 N--CA 1.456 -0.164 0 CA-C-O 120.868 0.366 . . . . 0.0 110.678 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 83' ' ' VAL . 5.5 mm-40 -80.41 -30.94 37.72 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.968 -0.293 . . . . 0.0 110.478 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.423 ' CG2' ' N ' ' A' ' 17' ' ' TRP . 55.5 t -58.35 -41.83 82.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 179.203 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 77.9 m80 -69.34 -40.99 77.21 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.436 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 30.9 mttm -76.21 -27.6 56.9 Favored 'General case' 0 CA--C 1.528 0.127 0 CA-C-O 120.863 0.363 . . . . 0.0 110.798 179.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.476 ' N ' ' O ' ' A' ' 79' ' ' GLU . 73.8 t -88.45 135.61 25.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.786 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.475 ' O ' ' NE2' ' A' ' 28' ' ' GLN . 14.0 mttp -113.08 157.55 21.45 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.295 -179.692 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 60.4 t -119.17 122.51 69.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.43 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.585 ' CD1' ' O ' ' A' ' 86' ' ' TYR . 0.2 OUTLIER -78.83 148.56 32.8 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.675 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.0 m -128.62 125.82 64.19 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.461 179.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 22.0 p90 . . . . . 0 C--O 1.221 -0.412 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.605 179.783 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 55.6 m . . . . . 0 N--CA 1.456 -0.134 0 CA-C-O 120.853 0.359 . . . . 0.0 110.632 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.6 mp -131.57 133.58 61.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.414 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.6 t -123.91 178.77 5.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.547 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -116.7 131.14 57.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.603 179.761 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.57 150.22 47.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.724 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt -92.63 -39.85 11.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.383 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.0 tttp -135.06 -172.14 2.98 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.736 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 63.2 t90 -96.37 124.52 40.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.704 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.492 ' O ' ' N ' ' A' ' 21' ' ' ILE . 52.8 m -148.78 152.6 36.82 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.677 179.488 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -42.74 -26.33 0.12 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.969 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.419 ' N ' ' C ' ' A' ' 18' ' ' SER . 98.1 mt-10 -69.86 -40.89 75.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.472 179.317 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.492 ' N ' ' O ' ' A' ' 18' ' ' SER . 6.8 mm -71.85 -59.26 3.59 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.37 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.067 -179.57 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.536 ' OE1' ' N ' ' A' ' 23' ' ' ASN . 3.1 tm-20 -45.1 -47.18 12.06 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.199 -178.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.536 ' N ' ' OE1' ' A' ' 22' ' ' GLU . 1.0 OUTLIER -60.0 -51.36 69.98 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.284 -179.702 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 75.9 mt -56.87 -40.04 75.45 Favored 'General case' 0 CA--C 1.51 -0.566 0 C-N-CA 120.332 -0.547 . . . . 0.0 110.488 -178.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -60.98 -49.11 78.78 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.561 178.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.407 ' NH2' ' O ' ' A' ' 70' ' ' ASN . 93.5 mtt180 -60.95 -47.51 86.12 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.955 -179.281 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -65.43 -47.18 77.09 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.486 179.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -55.7 -40.42 72.36 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.819 -179.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -60.8 -40.0 91.03 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.866 0.365 . . . . 0.0 110.024 178.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.86 -17.32 64.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.347 179.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 104.25 6.68 41.71 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -104.91 146.18 29.38 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 120.89 0.376 . . . . 0.0 111.135 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.8 -35.24 57.76 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.453 179.555 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -164.79 172.15 13.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.535 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -49.98 -31.34 12.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.627 -178.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 88.7 mt -56.97 -49.55 78.89 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 C-N-CA 120.548 -0.461 . . . . 0.0 111.007 -178.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -64.84 -39.84 94.21 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.994 0.426 . . . . 0.0 110.444 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -59.93 -45.88 91.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.084 179.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.567 ' O ' ' N ' ' A' ' 43' ' ' GLN . 60.4 mttp -58.72 -39.72 81.64 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.031 -179.162 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.536 ' O ' ' NE2' ' A' ' 43' ' ' GLN . 62.9 tt0 -60.88 -43.21 98.75 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.55 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 79.7 t -62.1 -43.71 98.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.121 -179.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -95.15 -0.63 53.14 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.763 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.567 ' N ' ' O ' ' A' ' 39' ' ' LYS . 83.0 mm-40 48.33 52.08 14.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.943 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 31.5 m -127.38 -175.17 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.532 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -137.21 26.6 2.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.957 -179.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 19.5 ptm -162.45 152.23 16.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.773 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 15.9 t -125.07 134.52 66.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.012 179.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -60.05 129.23 40.76 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.672 -179.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -144.61 157.28 44.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.992 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 69.8 m95 -95.81 141.45 23.19 Favored Pre-proline 0 C--O 1.22 -0.475 0 C-N-CA 120.046 -0.662 . . . . 0.0 111.24 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -65.83 -27.84 51.37 Favored 'Trans proline' 0 C--N 1.302 -1.872 0 C-N-CA 122.37 2.047 . . . . 0.0 112.557 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -53.46 -52.94 57.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.705 -178.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.569 ' OG1' ' CD2' ' A' ' 55' ' ' TYR . 30.3 p -127.2 -31.99 2.52 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.526 -0.307 . . . . 0.0 110.974 179.721 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 99.84 21.28 14.38 Favored Glycine 0 N--CA 1.464 0.541 0 C-N-CA 120.578 -0.82 . . . . 0.0 111.279 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.569 ' CD2' ' OG1' ' A' ' 53' ' ' THR . 28.6 m-85 -81.17 155.21 26.3 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.552 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 94.2 t -61.69 127.29 21.25 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.157 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.495 -179.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 50.5 tttm -73.65 -47.16 42.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.872 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -154.38 151.64 29.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.709 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -147.28 130.46 16.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.82 179.387 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -78.34 135.07 37.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.003 0.43 . . . . 0.0 110.671 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -76.82 171.68 14.34 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.959 -179.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.4 -6.66 31.48 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.249 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -100.15 10.64 40.94 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.087 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 69.81 37.98 1.72 Allowed 'General case' 0 N--CA 1.455 -0.184 0 CA-C-O 120.587 0.232 . . . . 0.0 111.135 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 35.8 p -120.64 128.78 53.32 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.395 179.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -75.46 124.09 26.56 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.798 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -118.15 123.98 46.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.3 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -92.94 132.7 36.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.485 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -105.33 155.67 18.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.913 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.407 ' O ' ' NH2' ' A' ' 26' ' ' ARG . 2.7 p30 -97.05 126.91 42.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.349 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.6 pttt -69.07 -21.51 64.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.376 0.608 . . . . 0.0 110.668 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 . . . . . 0 C--N 1.323 -0.587 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.158 -179.564 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.237 0.428 0 CA-C-O 120.951 0.405 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.524 ' O ' ' CG2' ' A' ' 83' ' ' VAL . 8.3 mm-40 -80.56 -35.86 33.8 Favored 'General case' 0 C--O 1.218 -0.557 0 CA-C-O 121.204 0.526 . . . . 0.0 110.742 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 89.7 t -59.26 -42.23 86.46 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 C-N-CA 120.145 -0.622 . . . . 0.0 110.3 -179.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 77.7 m-70 -70.37 -42.34 71.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.971 -0.558 . . . . 0.0 112.409 -178.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.82 -19.15 52.78 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.33 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.524 ' CG2' ' O ' ' A' ' 79' ' ' GLU . 59.7 t -83.97 135.68 24.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.112 179.565 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 58.2 pttt -107.55 156.43 19.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.223 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 20.7 t -125.97 125.09 67.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.88 0.371 . . . . 0.0 110.147 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.574 ' O ' ' CD1' ' A' ' 86' ' ' TYR . 0.3 OUTLIER -90.27 145.58 24.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.774 -179.812 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.2 m -129.37 124.74 60.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.975 0.417 . . . . 0.0 110.759 179.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 51.8 p90 . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.951 -1.023 . . . . 0.0 110.417 179.828 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 74.7 m . . . . . 0 N--CA 1.456 -0.132 0 CA-C-O 120.777 0.322 . . . . 0.0 110.679 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.4 mp -129.06 133.89 65.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.734 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.721 ' HG ' ' H ' ' A' ' 13' ' ' ARG . 33.2 t -125.39 178.25 5.72 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.528 -179.629 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.721 ' H ' ' HG ' ' A' ' 12' ' ' SER . 26.3 mmt180 -117.63 133.05 56.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.64 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.09 148.79 51.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.656 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.3 mtpp -117.93 14.26 14.15 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.504 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.494 ' N ' HG12 ' A' ' 80' ' ' VAL . 20.3 ttmt -169.53 165.76 10.27 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.761 179.19 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.477 ' C ' ' HG ' ' A' ' 18' ' ' SER . 59.3 t90 -95.66 123.45 39.22 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.838 0.351 . . . . 0.0 111.341 179.596 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.477 ' HG ' ' C ' ' A' ' 17' ' ' TRP . 50.8 m -154.18 155.62 35.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.65 179.416 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -44.12 -28.04 0.45 Allowed 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -69.75 -45.62 67.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.939 0.4 . . . . 0.0 110.719 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 21.3 mm -74.38 -61.91 1.52 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.275 0 C-N-CA 120.496 -0.481 . . . . 0.0 109.967 -179.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.6 tp10 -44.59 -47.54 10.34 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-O 120.926 0.393 . . . . 0.0 110.178 -178.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.71 -49.64 74.55 Favored 'General case' 0 C--N 1.317 -0.806 0 C-N-CA 120.412 -0.515 . . . . 0.0 110.691 -179.585 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 47.3 mt -54.58 -39.56 67.91 Favored 'General case' 0 C--O 1.212 -0.885 0 C-N-CA 120.561 -0.455 . . . . 0.0 110.564 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 78.1 t80 -61.31 -47.76 84.44 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 120.716 0.293 . . . . 0.0 110.394 178.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.456 ' O ' ' HG3' ' A' ' 29' ' ' GLN . 66.6 mtt180 -60.58 -48.5 81.5 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-O 121.238 0.542 . . . . 0.0 110.46 -179.026 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -67.74 -45.19 75.72 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.187 0.518 . . . . 0.0 110.714 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -57.61 -46.38 84.16 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.405 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.461 ' CG ' ' OH ' ' A' ' 69' ' ' TYR . 0.0 OUTLIER -65.22 -20.6 66.51 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.836 0.35 . . . . 0.0 110.74 -179.837 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.66 -12.58 53.62 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.104 -179.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 101.67 0.81 52.77 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.421 -0.672 . . . . 0.0 111.421 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.509 ' CD2' ' OE2' ' A' ' 37' ' ' GLU . 23.9 m-85 -103.49 147.26 27.37 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 120.971 0.415 . . . . 0.0 110.326 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.44 -37.84 42.71 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.937 179.115 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.439 ' OD2' ' OH ' ' A' ' 86' ' ' TYR . 26.3 p-10 -163.3 171.45 16.12 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.5 179.449 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -48.15 -29.91 4.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.515 -179.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 93.6 mt -56.45 -50.08 74.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 C-N-CA 120.627 -0.429 . . . . 0.0 111.095 -178.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.509 ' OE2' ' CD2' ' A' ' 32' ' ' TYR . 10.6 tt0 -65.03 -39.09 92.85 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.99 0.424 . . . . 0.0 110.639 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -60.51 -45.21 94.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.886 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.555 ' O ' ' N ' ' A' ' 43' ' ' GLN . 2.9 mtpm? -61.52 -39.81 92.36 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.08 -179.341 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -60.52 -46.28 90.72 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.743 -0.383 . . . . 0.0 111.188 -179.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 51.5 t -64.25 -41.26 91.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.436 179.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.4 mmtp -89.27 -5.09 57.87 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.102 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.555 ' N ' ' O ' ' A' ' 39' ' ' LYS . 66.6 mt-30 50.26 48.29 22.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.774 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 28.6 m -128.92 -173.92 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.51 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -139.46 18.81 2.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.728 -179.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.92 151.98 24.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.647 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 17.1 t -124.5 135.53 63.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.09 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -66.76 131.23 45.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.746 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 55.0 mtt180 -140.97 167.13 22.92 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.568 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.455 ' O ' ' N ' ' A' ' 54' ' ' GLY . 70.2 m95 -96.95 139.69 21.69 Favored Pre-proline 0 C--O 1.219 -0.501 0 C-N-CA 120.373 -0.531 . . . . 0.0 111.133 -179.655 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -65.06 -28.37 57.23 Favored 'Trans proline' 0 C--N 1.302 -1.904 0 C-N-CA 122.68 2.254 . . . . 0.0 112.393 -179.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -51.22 -52.92 40.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.746 -178.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.568 ' OG1' ' CD2' ' A' ' 55' ' ' TYR . 33.7 p -126.9 -28.64 2.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.842 0.353 . . . . 0.0 110.883 179.425 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 50' ' ' TRP . . . 94.61 23.49 21.06 Favored Glycine 0 N--CA 1.462 0.383 0 C-N-CA 120.666 -0.778 . . . . 0.0 111.326 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.568 ' CD2' ' OG1' ' A' ' 53' ' ' THR . 24.9 m-85 -80.58 161.55 24.7 Favored 'General case' 0 CA--C 1.516 -0.353 0 C-N-CA 121.061 -0.256 . . . . 0.0 110.836 179.747 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 89.5 t -60.38 124.62 15.08 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.231 -179.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 47.4 tttm -77.95 -48.93 15.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.134 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 58.4 pttt -142.72 144.87 32.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.244 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.1 tp -146.87 122.23 10.29 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.097 0.475 . . . . 0.0 110.667 179.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -80.54 134.07 35.89 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.362 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.7 mtm180 -74.84 169.57 17.65 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.746 -178.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 -69.39 -5.99 27.16 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.29 178.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -100.19 11.49 39.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.784 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 39.7 m-20 66.13 36.69 5.49 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 123.476 0.485 . . . . 0.0 111.126 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 20.0 p -117.06 126.44 52.86 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.242 178.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -70.03 122.1 18.72 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.633 -179.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -123.53 113.14 18.33 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.024 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -82.94 137.81 34.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.769 -179.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.461 ' OH ' ' CG ' ' A' ' 29' ' ' GLN . 45.6 m-85 -106.03 153.82 21.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.382 179.337 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -97.11 137.31 36.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.797 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.7 pttm -78.67 -26.5 45.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.312 0.577 . . . . 0.0 110.524 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 . . . . . 0 C--N 1.323 -0.563 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 179.34 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.5 pttp . . . . . 0 CA--C 1.528 0.126 0 CA-C-O 120.954 0.407 . . . . 0.0 110.815 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.401 ' O ' ' CG2' ' A' ' 83' ' ' VAL . 6.9 mt-10 -82.99 -31.83 27.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.955 0.407 . . . . 0.0 110.442 179.748 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.494 HG12 ' N ' ' A' ' 16' ' ' LYS . 58.6 t -56.27 -47.68 80.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 C-N-CA 120.433 -0.507 . . . . 0.0 110.234 -179.562 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 60.4 t-80 -71.11 -41.55 70.41 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.045 -179.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.91 -25.29 63.61 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.992 179.719 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.401 ' CG2' ' O ' ' A' ' 79' ' ' GLU . 77.2 t -86.15 137.28 21.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.644 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 46.8 pttt -106.82 159.3 16.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.315 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.6 t -125.3 112.82 32.71 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.345 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.439 ' OH ' ' OD2' ' A' ' 34' ' ' ASP . 3.2 p90 -82.02 141.74 32.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.362 -179.702 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.7 m -127.58 122.85 60.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 121.136 0.493 . . . . 0.0 110.728 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 46.9 p90 . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.936 -1.03 . . . . 0.0 110.47 179.836 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 70.0 m . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.753 0.311 . . . . 0.0 110.664 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.5 mp -129.0 131.12 68.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.591 179.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.641 ' HG ' ' H ' ' A' ' 13' ' ' ARG . 44.0 t -119.08 176.17 5.43 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.446 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.641 ' H ' ' HG ' ' A' ' 12' ' ' SER . 1.3 mpt_? -111.33 129.83 55.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.709 -179.565 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.52 144.72 53.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.414 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.4 mptt -99.85 -41.68 7.14 Favored 'General case' 0 CA--C 1.523 -0.094 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.846 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.1 tttp -132.27 -173.7 3.23 Favored 'General case' 0 C--O 1.227 -0.107 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.011 179.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.414 ' NE1' ' HB2' ' A' ' 22' ' ' GLU . 35.1 t90 -98.25 130.38 44.96 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.899 179.733 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.403 ' O ' ' N ' ' A' ' 21' ' ' ILE . 83.5 p -160.74 159.57 30.29 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.286 178.73 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -43.07 -31.45 0.55 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.537 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -69.26 -43.6 73.61 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.837 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.403 ' N ' ' O ' ' A' ' 18' ' ' SER . 11.8 mm -77.49 -61.43 1.71 Allowed 'Isoleucine or valine' 0 CA--C 1.519 -0.227 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.274 -179.538 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.414 ' HB2' ' NE1' ' A' ' 17' ' ' TRP . 88.3 tt0 -43.75 -46.33 7.58 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-O 121.279 0.561 . . . . 0.0 109.943 -178.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -59.75 -49.36 78.03 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.67 179.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 23.9 mt -55.16 -39.19 69.23 Favored 'General case' 0 C--O 1.219 -0.545 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.178 -179.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -60.17 -48.2 82.72 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.402 178.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.528 ' NH2' ' O ' ' A' ' 70' ' ' ASN . 94.1 mtt180 -60.82 -49.45 77.44 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.547 -179.125 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -64.62 -47.43 78.58 Favored 'General case' 0 N--CA 1.462 0.173 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.728 179.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.427 ' NE2' ' O ' ' A' ' 84' ' ' LYS . 62.7 mt-30 -54.6 -42.48 71.17 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 -179.544 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -60.6 -38.73 85.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.36 178.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.22 -19.07 64.72 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.3 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.474 ' O ' ' CZ ' ' A' ' 62' ' ' ARG . . . 105.84 8.88 33.69 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 111.316 -0.714 . . . . 0.0 111.316 -179.592 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -110.8 146.8 35.76 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 121.086 0.47 . . . . 0.0 110.819 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.69 -34.65 45.99 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.496 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.438 ' CG ' ' H ' ' A' ' 35' ' ' GLU . 17.7 t70 -165.46 175.13 9.3 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.669 -179.734 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.526 ' OE2' ' NH2' ' A' ' 49' ' ' ARG . 98.0 mt-10 -48.99 -36.83 18.54 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.167 -178.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 18.7 mm -49.32 -59.22 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.121 -179.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 48.4 tp10 -60.54 -39.27 87.28 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.823 0.344 . . . . 0.0 110.74 -178.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -59.87 -46.02 90.65 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.231 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.52 ' O ' ' N ' ' A' ' 43' ' ' GLN . 62.9 mttm -60.11 -41.11 91.87 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.651 -0.25 . . . . 0.0 110.933 -179.215 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 -60.44 -43.68 96.56 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.793 0.33 . . . . 0.0 110.595 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 70.2 t -61.54 -43.96 97.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.949 -179.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp -93.75 1.0 56.63 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.809 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.52 ' N ' ' O ' ' A' ' 39' ' ' LYS . 95.7 mt-30 46.9 50.42 13.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.77 179.69 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 26.7 m -129.74 -173.0 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.568 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.516 ' C ' ' NZ ' ' A' ' 39' ' ' LYS . . . -143.76 30.14 1.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.738 -179.675 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.8 mtt -161.94 127.4 3.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 43.6 t -105.21 130.42 56.44 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -60.42 127.68 32.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.965 0.412 . . . . 0.0 110.624 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.526 ' NH2' ' OE2' ' A' ' 35' ' ' GLU . 74.3 mtt180 -144.08 159.29 42.87 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.075 -179.619 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.492 ' O ' ' N ' ' A' ' 54' ' ' GLY . 70.6 m95 -91.04 138.26 26.1 Favored Pre-proline 0 CA--C 1.535 0.384 0 C-N-CA 119.982 -0.687 . . . . 0.0 111.136 -179.621 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -63.8 -32.78 66.84 Favored 'Trans proline' 0 C--N 1.303 -1.855 0 C-N-CA 122.492 2.128 . . . . 0.0 112.923 -178.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.525 ' OE1' ' NZ ' ' A' ' 71' ' ' LYS . 47.0 mt-10 -52.33 -48.19 65.59 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.824 -178.532 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -126.09 -37.93 2.21 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.75 0.309 . . . . 0.0 111.111 179.721 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 50' ' ' TRP . . . 101.26 18.1 20.33 Favored Glycine 0 CA--C 1.521 0.463 0 C-N-CA 120.611 -0.804 . . . . 0.0 111.202 -179.333 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -77.44 163.18 26.6 Favored 'General case' 0 CA--C 1.519 -0.238 0 O-C-N 122.437 -0.449 . . . . 0.0 110.509 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 63.9 t -67.33 122.29 18.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 O-C-N 123.414 0.446 . . . . 0.0 111.025 -178.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -73.69 -51.04 17.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.724 179.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 62.4 pttt -145.62 150.15 35.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.234 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.4 tp -147.41 141.18 25.7 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 121.125 0.488 . . . . 0.0 110.705 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -93.22 134.07 35.79 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.774 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 22.4 mtt180 -76.87 170.3 16.73 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.26 0.552 . . . . 0.0 110.96 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.474 ' CZ ' ' O ' ' A' ' 31' ' ' GLY . 4.5 tpp180 -68.03 -9.33 44.99 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.262 179.398 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.42 ' O ' ' CB ' ' A' ' 64' ' ' ASN . 94.4 m-20 -97.92 7.28 46.61 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.107 -179.609 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.42 ' CB ' ' O ' ' A' ' 63' ' ' ASP . 1.9 m-20 79.03 -6.81 1.85 Allowed 'General case' 0 CA--C 1.52 -0.177 0 O-C-N 123.258 0.349 . . . . 0.0 110.392 179.481 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 18.2 p -75.22 125.39 28.86 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -74.98 128.98 36.85 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.598 -179.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -124.54 116.27 22.19 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 120.961 0.41 . . . . 0.0 109.972 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -81.34 143.34 32.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.399 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -117.55 153.35 33.36 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.732 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.528 ' O ' ' NH2' ' A' ' 26' ' ' ARG . 0.3 OUTLIER -96.66 126.63 41.97 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.029 -179.876 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.525 ' NZ ' ' OE1' ' A' ' 52' ' ' GLU . 13.4 pttt -58.0 -24.66 59.11 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.41 0.624 . . . . 0.0 110.688 -179.544 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.52 ' CB ' ' OD1' ' A' ' 70' ' ' ASN . 2.4 tt0 . . . . . 0 C--N 1.324 -0.501 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.827 -178.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.249 0 CA-C-O 121.167 0.508 . . . . 0.0 110.612 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.554 ' O ' ' N ' ' A' ' 83' ' ' VAL . 74.5 mt-10 -81.79 -30.08 32.43 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 109.946 -0.391 . . . . 0.0 109.946 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 63.8 t -56.79 -47.5 82.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -64.89 -42.94 94.37 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.741 179.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 33.5 mtmt -74.84 -24.81 58.66 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.231 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.554 ' N ' ' O ' ' A' ' 79' ' ' GLU . 68.3 t -83.88 130.75 35.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.322 0.582 . . . . 0.0 111.56 -179.446 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.427 ' O ' ' NE2' ' A' ' 28' ' ' GLN . 22.6 pttm -109.4 142.76 39.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.109 179.58 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.6 t -107.75 124.31 63.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.914 0.387 . . . . 0.0 110.774 -178.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.568 ' CD1' ' O ' ' A' ' 86' ' ' TYR . 0.3 OUTLIER -89.77 146.8 24.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.845 179.807 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 4.2 m -128.45 128.54 68.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.989 0.423 . . . . 0.0 110.406 179.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 44.8 p90 . . . . . 0 C--O 1.218 -0.582 0 CA-C-O 118.065 -0.969 . . . . 0.0 110.555 179.869 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 49.2 m . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.968 0.413 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.8 mp -129.63 128.88 66.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.504 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 67.8 m -118.88 175.93 5.52 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.387 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? -117.15 132.63 56.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.637 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.62 151.97 45.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.963 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 34.8 mmtm -96.07 -39.75 9.58 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.554 -179.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.1 tptm -131.39 -174.88 3.52 Favored 'General case' 0 C--N 1.334 -0.086 0 CA-C-O 121.079 0.466 . . . . 0.0 110.916 179.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 66.5 t90 -95.67 125.89 40.56 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.674 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.486 ' O ' ' N ' ' A' ' 21' ' ' ILE . 42.5 t -150.34 151.81 33.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.498 179.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -42.15 -27.16 0.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.252 -179.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 18' ' ' SER . 98.9 mt-10 -69.47 -40.5 77.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.749 179.374 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.486 ' N ' ' O ' ' A' ' 18' ' ' SER . 4.6 mm -72.76 -59.31 3.51 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.164 -179.004 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.0 tp10 -48.01 -48.6 32.71 Favored 'General case' 0 CA--C 1.512 -0.503 0 C-N-CA 120.489 -0.484 . . . . 0.0 110.104 -178.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -56.61 -52.06 66.28 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 120.488 -0.485 . . . . 0.0 111.079 -179.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 64.7 mt -55.65 -40.39 72.17 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.097 -179.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -60.95 -48.13 83.23 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.802 0.334 . . . . 0.0 110.152 178.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.456 ' NH1' ' O ' ' A' ' 56' ' ' VAL . 87.2 mtt180 -61.95 -50.09 73.53 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.631 -0.427 . . . . 0.0 111.113 -179.265 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -63.19 -47.77 81.18 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.3 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -55.89 -40.59 73.22 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.523 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 73.5 mm-40 -63.58 -38.41 91.04 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.475 177.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.87 -17.48 63.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.478 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.508 ' O ' ' NE ' ' A' ' 62' ' ' ARG . . . 104.97 7.99 37.36 Favored Glycine 0 CA--C 1.527 0.82 0 N-CA-C 111.255 -0.738 . . . . 0.0 111.255 -179.711 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -111.98 147.05 36.74 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-O 120.936 0.398 . . . . 0.0 110.449 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -77.08 -34.31 56.99 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.847 179.799 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.455 ' OD2' ' OH ' ' A' ' 86' ' ' TYR . 51.7 p-10 -165.82 176.54 7.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.514 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -49.7 -37.49 29.21 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.502 -179.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 31.8 mm -52.8 -56.42 7.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.084 -179.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 52.4 tp10 -60.5 -39.98 89.69 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.006 0.432 . . . . 0.0 110.486 -179.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 43.4 t80 -60.99 -47.42 86.52 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.461 179.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.476 ' O ' ' N ' ' A' ' 43' ' ' GLN . 43.9 mttm -60.42 -41.14 93.33 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.12 -178.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -62.36 -42.6 99.53 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.636 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 75.8 t -62.56 -44.94 99.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.203 -179.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.467 ' NZ ' ' CD ' ' A' ' 60' ' ' GLN . 72.3 mmtt -94.8 4.2 54.1 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 -179.647 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.476 ' N ' ' O ' ' A' ' 39' ' ' LYS . 19.3 mp0 46.15 50.49 11.82 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.619 179.195 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 26.7 m -127.6 -171.61 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.548 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.448 ' C ' ' NZ ' ' A' ' 39' ' ' LYS . . . -144.77 22.36 1.61 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.762 -179.591 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.47 ' O ' ' SD ' ' A' ' 46' ' ' MET . 0.0 OUTLIER -161.27 143.22 11.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.678 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.2 t -116.94 137.38 51.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.239 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -69.06 120.62 15.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.319 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.492 ' CZ ' ' O ' ' A' ' 54' ' ' GLY . 22.2 mtm180 -136.52 165.87 24.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.544 -179.376 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.525 ' O ' ' N ' ' A' ' 54' ' ' GLY . 68.9 m95 -94.15 140.43 22.85 Favored Pre-proline 0 C--O 1.217 -0.637 0 C-N-CA 120.362 -0.535 . . . . 0.0 111.081 -179.457 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -65.78 -30.69 49.62 Favored 'Trans proline' 0 C--N 1.3 -1.976 0 C-N-CA 122.456 2.104 . . . . 0.0 112.61 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 52.3 mp0 -56.37 -50.55 71.23 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.153 -178.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.491 ' OG1' ' CD2' ' A' ' 55' ' ' TYR . 24.7 p -119.57 -31.06 4.68 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.706 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 50' ' ' TRP . . . 90.54 18.46 48.58 Favored Glycine 0 N--CA 1.465 0.586 0 C-N-CA 120.62 -0.8 . . . . 0.0 111.112 -179.587 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.491 ' CD2' ' OG1' ' A' ' 53' ' ' THR . 23.3 m-85 -83.75 159.67 21.42 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.81 0.338 . . . . 0.0 111.088 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.456 ' O ' ' NH1' ' A' ' 26' ' ' ARG . 87.4 t -59.19 124.26 13.08 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.604 -178.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -77.67 -48.76 16.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.768 179.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 62.3 pttt -141.2 146.19 36.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.024 -179.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -145.41 137.82 25.82 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.955 179.325 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.467 ' CD ' ' NZ ' ' A' ' 42' ' ' LYS . 14.0 tt0 -90.07 131.63 35.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.883 0.373 . . . . 0.0 110.317 179.443 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.9 mmm180 -73.77 165.28 25.39 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 -179.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.508 ' NE ' ' O ' ' A' ' 31' ' ' GLY . 4.5 mtt-85 -65.91 -6.57 12.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.307 179.616 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.433 ' O ' ' CB ' ' A' ' 64' ' ' ASN . 95.8 m-20 -100.48 7.75 43.96 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.918 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.433 ' CB ' ' O ' ' A' ' 63' ' ' ASP . 3.5 m-20 79.76 -6.46 1.79 Allowed 'General case' 0 CA--C 1.522 -0.112 0 O-C-N 123.355 0.409 . . . . 0.0 110.567 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 25.2 p -76.2 125.67 29.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.375 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -70.86 129.13 38.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.707 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -122.17 112.84 18.69 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.337 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -82.63 141.87 32.17 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.482 179.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -114.28 151.02 33.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.312 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.481 ' OD1' ' CB ' ' A' ' 72' ' ' GLU . 0.3 OUTLIER -98.9 125.42 44.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.229 179.554 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 30.5 pttt -56.76 -17.86 10.58 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.171 0.51 . . . . 0.0 110.378 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.481 ' CB ' ' OD1' ' A' ' 70' ' ' ASN . 1.5 mt-10 . . . . . 0 C--N 1.324 -0.543 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 -179.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 55.1 pttt . . . . . 0 C--O 1.227 -0.098 0 CA-C-O 120.982 0.42 . . . . 0.0 110.493 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.449 ' O ' ' CG2' ' A' ' 83' ' ' VAL . 3.7 mm-40 -83.49 -34.91 25.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.84 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 54.5 t -57.32 -44.15 83.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 78.8 m80 -71.01 -40.74 71.62 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.967 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.52 -27.88 63.51 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.866 0.365 . . . . 0.0 110.777 179.646 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.449 ' CG2' ' O ' ' A' ' 79' ' ' GLU . 77.8 t -79.05 134.81 27.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.284 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.27 143.3 35.72 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.593 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 16.4 t -115.05 115.48 49.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 120.867 0.365 . . . . 0.0 110.079 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.575 ' CD1' ' O ' ' A' ' 86' ' ' TYR . 0.2 OUTLIER -85.0 150.28 25.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.932 -179.675 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.46 ' CG1' ' O ' ' A' ' 87' ' ' VAL . 4.8 p -129.31 123.11 57.39 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.286 179.565 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 31.5 p90 . . . . . 0 C--O 1.218 -0.587 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.378 179.915 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 69.5 m . . . . . 0 N--CA 1.464 0.257 0 CA-C-O 120.734 0.302 . . . . 0.0 110.611 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.5 mp -131.47 130.75 62.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.694 179.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 64.3 m -123.02 178.67 4.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.631 -179.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.3 mtm105 -115.52 131.94 56.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.674 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.23 152.48 45.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.578 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? -95.23 -39.97 9.8 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.899 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.785 ' CD ' ' H ' ' A' ' 17' ' ' TRP . 0.1 OUTLIER -137.06 -171.09 2.86 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.886 -179.883 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.785 ' H ' ' CD ' ' A' ' 16' ' ' LYS . 48.6 t90 -96.59 133.21 41.37 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.466 -0.788 . . . . 0.0 112.1 179.701 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 21' ' ' ILE . 84.1 p -157.01 155.8 31.86 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.199 178.215 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.4 pt-20 -42.47 -27.96 0.19 Allowed 'General case' 0 C--O 1.237 0.399 0 CA-C-O 120.937 0.399 . . . . 0.0 110.254 -179.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -69.73 -43.76 71.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.47 179.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.491 ' O ' ' N ' ' A' ' 24' ' ' LEU . 15.6 mm -73.28 -61.19 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 C-N-CA 120.606 -0.438 . . . . 0.0 110.417 -178.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.545 ' OE1' ' CE1' ' A' ' 55' ' ' TYR . 85.4 tt0 -37.85 -46.24 0.92 Allowed 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 -179.108 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -62.25 -46.19 89.94 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.661 178.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' A' ' 21' ' ' ILE . 2.2 mm? -55.38 -46.33 76.52 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.823 -179.735 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -56.23 -49.71 73.35 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 121.004 -0.278 . . . . 0.0 110.624 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.558 ' NH2' ' O ' ' A' ' 70' ' ' ASN . 93.4 mtt180 -60.11 -46.58 89.14 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.203 -179.502 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -62.56 -49.18 76.29 Favored 'General case' 0 CA--C 1.528 0.124 0 CA-C-O 120.734 0.302 . . . . 0.0 110.537 179.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.553 ' NE2' ' O ' ' A' ' 84' ' ' LYS . 74.3 mt-30 -55.96 -42.11 75.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.087 -179.668 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 89.8 mm-40 -63.35 -39.0 93.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.847 178.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 62' ' ' ARG . . . -73.84 -18.33 60.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.035 0.445 . . . . 0.0 110.625 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.506 ' HA3' ' HE ' ' A' ' 62' ' ' ARG . . . 103.32 5.65 45.85 Favored Glycine 0 CA--C 1.527 0.796 0 N-CA-C 111.311 -0.715 . . . . 0.0 111.311 -179.713 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -102.87 149.93 24.01 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 121.14 0.495 . . . . 0.0 110.501 179.192 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.34 -39.45 16.45 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.315 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.504 ' CG ' ' H ' ' A' ' 35' ' ' GLU . 31.8 t70 -166.61 173.56 9.61 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.398 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.504 ' H ' ' CG ' ' A' ' 34' ' ' ASP . 4.5 mm-40 -42.79 -35.03 1.04 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.644 -179.235 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 88.8 mt -54.16 -49.06 64.8 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 C-N-CA 120.67 -0.412 . . . . 0.0 111.277 -177.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -68.22 -42.51 79.69 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 120.924 -0.311 . . . . 0.0 111.586 -179.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -59.22 -47.4 85.46 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.222 -179.084 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.481 ' O ' ' N ' ' A' ' 43' ' ' GLN . 58.4 mttp -61.35 -41.34 96.89 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.262 -179.188 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -63.25 -42.07 99.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.846 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.0 t -61.7 -45.97 97.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.399 -179.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -94.17 0.81 56.0 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.664 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.481 ' N ' ' O ' ' A' ' 39' ' ' LYS . 77.3 mm-40 48.61 51.33 15.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.931 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 32.7 m -129.67 -173.2 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.404 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -138.05 8.24 2.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.63 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -138.71 136.45 35.8 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.992 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 17.7 t -108.52 137.94 37.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.38 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -70.68 118.11 13.05 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.212 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.522 ' NE ' ' O ' ' A' ' 54' ' ' GLY . 33.1 mtp180 -140.62 164.5 30.0 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.544 -179.578 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.463 ' O ' ' N ' ' A' ' 54' ' ' GLY . 80.2 m95 -92.18 143.55 27.68 Favored Pre-proline 0 C--O 1.219 -0.521 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.121 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -66.8 -34.22 31.61 Favored 'Trans proline' 0 C--N 1.303 -1.855 0 C-N-CA 122.566 2.178 . . . . 0.0 112.355 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -46.07 -48.12 17.04 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.648 -178.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.558 ' OG1' ' CD2' ' A' ' 55' ' ' TYR . 23.2 p -131.22 -34.45 1.42 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.23 179.544 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.522 ' O ' ' NE ' ' A' ' 49' ' ' ARG . . . 100.64 21.77 12.14 Favored Glycine 0 N--CA 1.463 0.483 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 -179.624 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.558 ' CD2' ' OG1' ' A' ' 53' ' ' THR . 29.3 m-85 -79.88 158.28 26.75 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 120.635 0.255 . . . . 0.0 110.86 179.501 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.466 ' O ' ' NH1' ' A' ' 26' ' ' ARG . 56.7 t -60.82 120.66 6.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.598 -179.102 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 45.4 tttm -74.79 -49.29 21.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.663 179.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 62.4 pttt -143.34 148.7 36.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.261 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.6 tp -146.87 130.82 17.18 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.796 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -81.25 133.49 35.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.601 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' ' 61' ' ' ARG . 3.6 mtm105 -75.6 168.07 20.7 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.493 -178.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.506 ' HE ' ' HA3' ' A' ' 31' ' ' GLY . 2.5 mtm180 -68.27 -6.71 25.31 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.545 179.18 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -100.42 11.2 39.98 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.65 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 14.9 m-20 69.33 36.95 2.16 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 120.638 0.256 . . . . 0.0 111.173 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 25.2 p -120.26 129.61 54.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.23 179.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -76.71 123.23 25.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.767 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -121.91 120.63 35.03 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.379 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -82.18 136.31 35.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.459 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -107.86 157.04 18.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.765 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.558 ' O ' ' NH2' ' A' ' 26' ' ' ARG . 2.4 p30 -90.81 127.58 36.4 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.537 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.25 -14.86 59.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.283 0.563 . . . . 0.0 110.49 179.614 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 . . . . . 0 C--N 1.32 -0.716 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.021 -179.457 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt . . . . . 0 C--O 1.235 0.315 0 CA-C-O 120.743 0.306 . . . . 0.0 110.658 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -81.12 -31.7 34.13 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-O 120.671 0.272 . . . . 0.0 110.399 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 78.9 t -57.83 -45.44 87.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.895 0.378 . . . . 0.0 110.0 -179.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 74.5 m80 -70.16 -40.28 74.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.949 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.02 -27.29 64.55 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 72.2 t -87.88 134.99 26.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.985 -179.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.553 ' O ' ' NE2' ' A' ' 28' ' ' GLN . 38.6 pttt -115.03 131.78 56.81 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.345 179.58 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 38.4 t -98.52 123.71 51.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.023 0.439 . . . . 0.0 110.329 -179.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.542 ' CD1' ' O ' ' A' ' 86' ' ' TYR . 0.2 OUTLIER -83.74 153.62 24.05 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.713 179.542 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.0 m -126.64 126.97 69.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.626 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 43.7 p90 . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 118.003 -0.999 . . . . 0.0 110.424 179.863 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.7 m . . . . . 0 N--CA 1.456 -0.143 0 CA-C-O 120.772 0.32 . . . . 0.0 110.408 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 40.5 mm -121.62 129.88 75.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.101 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.7 m -123.3 173.87 7.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.549 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.477 ' CZ ' ' O ' ' A' ' 81' ' ' HIS . 30.5 mmm-85 -113.45 128.78 56.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.536 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.29 151.81 22.43 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.674 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -99.45 -41.9 7.19 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.997 -179.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -146.35 148.34 32.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.335 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.415 ' N ' ' CG2' ' A' ' 80' ' ' VAL . 65.4 t90 -56.39 137.17 53.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.151 -179.228 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 60.1 p -167.36 164.72 15.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.511 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -45.35 -35.29 3.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.513 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -65.39 -48.18 73.76 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.576 179.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.429 ' O ' ' C ' ' A' ' 22' ' ' GLU . 4.3 mm -67.7 -57.82 8.25 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.487 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 -178.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 21' ' ' ILE . 2.1 tm-20 -37.73 -46.3 0.88 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 123.579 0.549 . . . . 0.0 110.023 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.539 ' OD1' ' CE1' ' A' ' 27' ' ' PHE . 1.7 t30 -62.95 -47.71 82.02 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.191 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 21' ' ' ILE . 3.1 mm? -54.74 -47.07 74.28 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.677 -178.688 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -58.98 -49.6 77.28 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.784 -0.367 . . . . 0.0 110.533 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.539 ' NH2' ' O ' ' A' ' 70' ' ' ASN . 91.3 mtt180 -59.24 -47.64 84.61 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.335 -0.546 . . . . 0.0 110.623 -179.304 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.539 ' CE1' ' OD1' ' A' ' 23' ' ' ASN . 7.0 m-85 -63.12 -48.09 79.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.949 0.404 . . . . 0.0 110.376 -179.624 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.531 ' NE2' ' O ' ' A' ' 84' ' ' LYS . 72.1 mt-30 -55.88 -43.31 77.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.064 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 94.0 mm-40 -63.13 -39.63 95.25 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.613 178.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.78 -20.13 61.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.868 0.366 . . . . 0.0 110.461 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 107.46 2.22 35.22 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.385 -0.686 . . . . 0.0 111.385 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -104.23 150.14 24.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.962 0.41 . . . . 0.0 109.993 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.93 -35.5 20.45 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.71 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.483 ' CG ' ' H ' ' A' ' 35' ' ' GLU . 37.4 t0 -174.22 -176.08 1.09 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.682 -179.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.483 ' H ' ' CG ' ' A' ' 34' ' ' ASP . 15.7 pt-20 -43.08 -42.04 3.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.859 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.419 HG23 HD13 ' A' ' 36' ' ' ILE . 46.3 mm -48.97 -63.61 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 C-N-CA 120.731 -0.388 . . . . 0.0 111.217 -178.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.448 ' OE2' ' NH2' ' A' ' 62' ' ' ARG . 51.3 tp10 -63.79 -42.17 97.78 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.377 -179.173 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.47 ' C ' ' CD1' ' A' ' 38' ' ' TYR . 1.5 t80 -58.8 -51.09 71.49 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 119.76 -0.776 . . . . 0.0 110.965 -177.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.602 ' O ' ' N ' ' A' ' 43' ' ' GLN . 97.7 mttt -61.57 -40.66 95.53 Favored 'General case' 0 C--O 1.22 -0.456 0 C-N-CA 120.679 -0.408 . . . . 0.0 111.276 -178.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -62.83 -41.7 99.43 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.368 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 72.8 t -60.6 -46.51 95.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 C-N-CA 120.747 -0.381 . . . . 0.0 111.452 -178.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -99.99 0.06 40.3 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.802 -179.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.602 ' N ' ' O ' ' A' ' 39' ' ' LYS . 73.8 mt-30 47.53 53.45 11.07 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.577 -179.702 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 16.8 m -117.81 -169.53 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.683 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -137.77 -34.87 0.66 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.99 -179.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 26.8 ptt? -110.84 148.41 32.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.486 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 48.0 t -113.15 135.85 51.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.333 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -72.61 117.99 14.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.22 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.505 ' CZ ' ' O ' ' A' ' 54' ' ' GLY . 29.2 mtp180 -139.14 170.21 16.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.496 -179.638 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.435 ' O ' ' N ' ' A' ' 54' ' ' GLY . 65.3 m95 -97.11 141.85 23.65 Favored Pre-proline 0 C--O 1.221 -0.417 0 C-N-CA 120.125 -0.63 . . . . 0.0 111.068 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -65.48 -29.75 52.99 Favored 'Trans proline' 0 C--N 1.306 -1.691 0 C-N-CA 122.423 2.082 . . . . 0.0 112.785 -179.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 32.9 mp0 -51.99 -50.52 61.15 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.589 -178.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.504 ' OG1' ' CD2' ' A' ' 55' ' ' TYR . 45.0 p -126.47 -35.36 2.37 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.97 -0.292 . . . . 0.0 111.113 179.678 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.505 ' O ' ' CZ ' ' A' ' 49' ' ' ARG . . . 99.66 25.34 9.29 Favored Glycine 0 N--CA 1.463 0.456 0 C-N-CA 120.596 -0.811 . . . . 0.0 111.268 -179.671 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.504 ' CD2' ' OG1' ' A' ' 53' ' ' THR . 28.9 m-85 -86.51 154.8 20.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.727 0.299 . . . . 0.0 110.635 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.511 ' O ' ' NH1' ' A' ' 26' ' ' ARG . 41.1 t -56.94 124.09 9.85 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.227 -178.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -75.18 -51.83 12.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.996 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 63.0 pttt -141.85 148.19 38.4 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.383 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.435 HD11 ' CZ ' ' A' ' 38' ' ' TYR . 5.9 tp -147.63 134.92 20.6 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.564 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -85.47 136.13 33.56 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.429 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 22.3 mtt180 -78.55 168.35 19.91 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.215 -179.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.448 ' NH2' ' OE2' ' A' ' 37' ' ' GLU . 5.4 mmt180 -68.92 -7.11 31.85 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.178 179.634 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -98.27 5.65 48.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.712 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 73.79 37.42 0.67 Allowed 'General case' 0 N--CA 1.456 -0.165 0 CA-C-O 120.718 0.294 . . . . 0.0 111.137 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 33.0 p -121.44 129.81 53.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.244 179.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -74.47 124.13 26.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.432 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -122.06 117.98 27.63 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.293 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -82.0 134.58 35.37 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.442 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -106.17 153.63 21.84 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.633 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.539 ' O ' ' NH2' ' A' ' 26' ' ' ARG . 3.8 p30 -100.51 134.44 43.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.052 179.682 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.7 pttm -71.48 -31.01 66.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.126 0.488 . . . . 0.0 110.629 179.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 . . . . . 0 C--N 1.324 -0.51 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.27 179.882 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt . . . . . 0 C--O 1.236 0.393 0 CA-C-O 121.252 0.549 . . . . 0.0 110.64 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.525 ' O ' ' CG2' ' A' ' 83' ' ' VAL . 0.7 OUTLIER -80.45 -36.16 33.93 Favored 'General case' 0 C--O 1.216 -0.668 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.29 -179.734 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.415 ' CG2' ' N ' ' A' ' 17' ' ' TRP . 53.5 t -59.14 -41.65 84.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 C-N-CA 120.28 -0.568 . . . . 0.0 110.553 179.514 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.477 ' O ' ' CZ ' ' A' ' 13' ' ' ARG . 60.8 m80 -68.32 -42.59 79.14 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.186 -0.461 . . . . 0.0 112.04 -178.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.99 -20.16 39.03 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.606 -0.438 . . . . 0.0 111.066 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.525 ' CG2' ' O ' ' A' ' 79' ' ' GLU . 74.2 t -85.75 138.08 19.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.447 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.531 ' O ' ' NE2' ' A' ' 28' ' ' GLN . 0.9 OUTLIER -108.07 159.46 16.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.564 179.635 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 60.0 t -127.42 124.25 63.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.511 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.532 ' CD1' ' N ' ' A' ' 87' ' ' VAL . 0.0 OUTLIER -87.88 141.5 28.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 179.686 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.532 ' N ' ' CD1' ' A' ' 86' ' ' TYR . 12.6 m -128.6 134.4 64.66 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-O 121.621 0.724 . . . . 0.0 111.348 179.31 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 29.8 p90 . . . . . 0 C--N 1.323 -0.554 0 CA-C-O 117.893 -1.051 . . . . 0.0 110.146 179.601 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 70.3 m . . . . . 0 C--O 1.23 0.034 0 CA-C-O 120.943 0.401 . . . . 0.0 110.68 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.4 mp -133.05 130.56 58.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.416 179.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.3 m -119.33 177.46 4.9 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.556 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 91.1 mtt180 -111.24 130.51 55.63 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.764 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.86 148.12 52.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.509 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm -95.78 -37.12 10.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.346 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.9 ttpp -132.17 -177.46 4.46 Favored 'General case' 0 C--O 1.226 -0.144 0 CA-C-O 121.002 0.429 . . . . 0.0 111.022 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 61.4 t90 -96.64 134.56 39.73 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.984 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.6 m -160.23 160.0 32.19 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.624 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -46.06 -28.48 1.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.081 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 49.4 mp0 -68.68 -44.17 74.58 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.688 179.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.403 ' O ' ' C ' ' A' ' 22' ' ' GLU . 5.5 mm -71.04 -58.81 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 C-N-CA 120.471 -0.492 . . . . 0.0 109.806 -179.324 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.424 ' CD ' ' N ' ' A' ' 23' ' ' ASN . 1.8 tm-20 -40.33 -45.41 2.13 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.985 -179.697 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.424 ' N ' ' CD ' ' A' ' 22' ' ' GLU . 1.0 OUTLIER -60.45 -49.59 76.97 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.797 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -54.59 -44.26 72.87 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.737 -178.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 73.1 t80 -59.73 -48.93 79.71 Favored 'General case' 0 C--N 1.319 -0.759 0 C-N-CA 120.794 -0.362 . . . . 0.0 111.248 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.459 ' NH2' ' O ' ' A' ' 70' ' ' ASN . 90.3 mtt180 -61.77 -48.59 79.96 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.569 -0.452 . . . . 0.0 111.418 -178.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -65.35 -46.6 79.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.065 0.46 . . . . 0.0 110.552 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.518 ' NE2' ' O ' ' A' ' 84' ' ' LYS . 60.6 mt-30 -54.27 -42.08 69.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.971 -179.759 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -62.1 -36.84 82.94 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.409 178.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.36 -16.92 63.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.994 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 103.54 12.6 30.28 Favored Glycine 0 CA--C 1.527 0.804 0 N-CA-C 111.273 -0.731 . . . . 0.0 111.273 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -114.31 146.51 40.4 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 121.182 0.515 . . . . 0.0 110.962 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.405 ' CD ' ' H ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -76.48 -36.17 57.99 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.186 179.664 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 52.3 p-10 -161.01 170.6 20.22 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.352 179.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -51.0 -30.08 14.2 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.531 -179.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 48.8 mm -57.91 -48.44 83.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.617 -178.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 44.8 tp10 -64.66 -40.59 95.69 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.969 0.414 . . . . 0.0 110.191 -179.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -60.75 -46.59 89.88 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.527 179.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.583 ' O ' ' N ' ' A' ' 43' ' ' GLN . 59.6 mttp -59.9 -40.69 89.61 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.043 -178.694 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -62.33 -41.5 98.61 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.975 0.417 . . . . 0.0 110.587 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 76.9 t -61.73 -44.28 98.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.025 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 43' ' ' GLN . 27.4 mmtp -100.24 5.5 44.65 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.795 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.583 ' N ' ' O ' ' A' ' 39' ' ' LYS . 77.9 mt-30 37.93 59.74 1.3 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.636 179.583 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.0 m -113.11 -166.28 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.452 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -126.99 -28.7 2.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.805 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -151.03 163.64 38.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.49 -179.634 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 5.9 t -122.3 142.96 36.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 120.954 0.407 . . . . 0.0 110.244 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -66.47 145.7 55.37 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.044 0.449 . . . . 0.0 110.686 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 65.1 mtt85 -140.36 153.65 46.46 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.318 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.626 ' CZ2' ' NZ ' ' A' ' 57' ' ' LYS . 75.7 m95 -78.28 145.6 68.89 Favored Pre-proline 0 C--O 1.222 -0.36 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -179.677 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.496 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 38.3 Cg_endo -68.99 164.05 35.28 Favored 'Trans proline' 0 C--N 1.306 -1.663 0 C-N-CA 122.074 1.849 . . . . 0.0 110.178 175.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.496 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 9.1 tp10 82.68 -48.11 0.17 Allowed 'General case' 0 CA--C 1.512 -0.506 0 O-C-N 123.041 0.213 . . . . 0.0 110.845 179.597 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.497 ' HB ' ' CE2' ' A' ' 55' ' ' TYR . 69.9 p -118.86 -37.86 3.18 Favored 'General case' 0 CA--C 1.519 -0.226 0 C-N-CA 119.771 -0.771 . . . . 0.0 111.63 -178.714 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 50' ' ' TRP . . . 85.07 20.51 57.38 Favored Glycine 0 CA--C 1.525 0.687 0 C-N-CA 120.546 -0.835 . . . . 0.0 111.126 -179.68 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.497 ' CE2' ' HB ' ' A' ' 53' ' ' THR . 24.6 m-85 -71.1 163.1 28.28 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.866 -0.333 . . . . 0.0 110.666 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 96.1 t -58.68 128.29 19.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.821 -178.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.626 ' NZ ' ' CZ2' ' A' ' 50' ' ' TRP . 8.3 tptp -73.0 -50.77 21.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.817 -179.659 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -155.81 153.93 30.57 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.48 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -145.03 131.17 19.4 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.503 -0.479 . . . . 0.0 110.88 179.647 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -80.02 130.24 35.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.138 0.494 . . . . 0.0 110.82 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.2 mtm180 -75.73 168.02 20.8 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.639 -178.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 15.9 mtt-85 -65.64 -11.43 44.65 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.114 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -94.47 12.49 27.07 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.637 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 56.4 m-20 65.53 37.07 6.22 Favored 'General case' 0 C--N 1.333 -0.134 0 O-C-N 123.326 0.391 . . . . 0.0 111.279 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 29.4 p -118.66 129.33 55.24 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.466 179.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -76.08 120.1 20.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.577 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -115.28 115.47 26.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.125 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -82.51 141.96 32.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.342 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 66.9 m-85 -114.39 148.55 37.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.723 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.697 HD22 ' CB ' ' A' ' 72' ' ' GLU . 1.2 t30 -91.46 145.78 24.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.414 ' HB3' ' CG ' ' A' ' 50' ' ' TRP . 7.8 pttt -81.71 -21.25 38.11 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.673 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.697 ' CB ' HD22 ' A' ' 70' ' ' ASN . 1.0 OUTLIER . . . . . 0 CA--C 1.499 -0.99 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.837 -178.658 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 41.9 mtpt . . . . . 0 C--O 1.236 0.376 0 CA-C-O 121.129 0.49 . . . . 0.0 110.456 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.465 ' O ' ' N ' ' A' ' 83' ' ' VAL . 5.2 mt-10 -83.15 -28.19 29.55 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.785 179.481 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 56.1 t -57.73 -48.32 83.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 179.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 32.4 m170 -68.63 -40.65 80.24 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.701 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.6 mmmt -72.3 -26.65 62.04 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.934 0.397 . . . . 0.0 110.888 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.465 ' N ' ' O ' ' A' ' 79' ' ' GLU . 69.8 t -87.08 142.09 13.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.809 -179.773 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.518 ' O ' ' NE2' ' A' ' 28' ' ' GLN . 56.5 mtmt -113.84 158.12 21.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.49 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 61.7 t -127.11 126.95 69.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.67 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.534 ' O ' ' CD1' ' A' ' 86' ' ' TYR . 0.5 OUTLIER -81.33 144.66 31.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.42 179.731 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 6.3 m -126.19 138.02 55.91 Favored 'Isoleucine or valine' 0 C--O 1.231 0.132 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.582 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 35.3 p90 . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 118.041 -0.981 . . . . 0.0 110.521 -179.869 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 64.4 m . . . . . 0 N--CA 1.455 -0.18 0 CA-C-O 120.868 0.366 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.7 mp -129.81 134.42 63.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.572 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 39.0 t -126.22 176.57 6.98 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.55 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -113.81 130.64 56.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.527 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.45 154.21 39.14 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.061 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.73 -37.9 17.46 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.911 -179.729 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.718 ' CD ' ' H ' ' A' ' 17' ' ' TRP . 22.3 tptm -167.27 173.39 8.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.161 0.505 . . . . 0.0 111.122 179.573 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.718 ' H ' ' CD ' ' A' ' 16' ' ' LYS . 18.3 t90 -53.35 133.94 40.01 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.208 -0.906 . . . . 0.0 110.142 -178.71 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -163.23 162.99 25.61 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.123 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -56.81 -39.74 74.73 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.082 -178.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -66.77 -46.35 75.58 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.422 -0.511 . . . . 0.0 110.925 179.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.4 mm -70.2 -57.71 7.35 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.346 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 -178.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.557 ' OE2' ' NE ' ' A' ' 26' ' ' ARG . 6.3 tm-20 -39.8 -49.91 2.37 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.995 0.426 . . . . 0.0 110.373 179.584 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -60.67 -47.37 86.56 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.531 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 71.8 mt -58.39 -40.1 81.46 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.14 -179.065 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 23.7 t80 -59.59 -49.64 76.98 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.389 178.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.557 ' NE ' ' OE2' ' A' ' 22' ' ' GLU . 92.8 mtt180 -61.24 -46.19 91.42 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.431 -179.144 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -62.71 -49.33 75.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.871 0.367 . . . . 0.0 110.831 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.514 ' NE2' ' O ' ' A' ' 84' ' ' LYS . 69.2 mt-30 -57.39 -41.66 80.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.147 -178.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 89.6 mm-40 -62.7 -40.25 96.56 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.448 178.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 62' ' ' ARG . . . -72.68 -20.52 61.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.81 0.338 . . . . 0.0 110.601 179.521 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 107.27 1.91 35.61 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.481 ' CE2' ' O ' ' A' ' 60' ' ' GLN . 16.5 m-85 -100.19 150.23 22.73 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.07 0.462 . . . . 0.0 110.155 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.28 -35.47 18.45 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.383 -179.466 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.432 ' OD1' ' OH ' ' A' ' 86' ' ' TYR . 2.3 p-10 -170.98 -178.71 2.56 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.684 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -48.85 -35.76 15.37 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.175 -178.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 77.8 mt -55.33 -49.04 75.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.948 -178.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -67.61 -41.73 83.53 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.876 -0.33 . . . . 0.0 110.992 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -59.5 -46.92 87.43 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.03 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.532 ' O ' ' N ' ' A' ' 43' ' ' GLN . 97.8 mttt -60.33 -41.78 94.27 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 120.643 -0.423 . . . . 0.0 111.382 -179.496 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -63.69 -42.75 97.97 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.957 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 72.5 t -61.74 -45.83 97.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.859 0.362 . . . . 0.0 111.283 -179.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt -94.65 -0.33 54.49 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.609 -179.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.532 ' N ' ' O ' ' A' ' 39' ' ' LYS . 74.1 mm-40 50.52 51.49 16.76 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.526 -0.469 . . . . 0.0 110.838 179.604 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.7 m -128.55 -177.1 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.312 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -135.62 20.39 3.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 -179.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.7 mtm -158.28 142.75 16.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.494 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.1 t -115.01 134.36 58.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -68.88 135.49 51.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.745 0.307 . . . . 0.0 110.658 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.456 HH12 ' CG2' ' A' ' 56' ' ' VAL . 85.6 mtt-85 -145.37 169.13 18.9 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.731 -0.387 . . . . 0.0 110.232 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.509 ' O ' ' N ' ' A' ' 54' ' ' GLY . 68.0 m95 -95.89 139.47 21.85 Favored Pre-proline 0 C--O 1.221 -0.422 0 C-N-CA 120.194 -0.603 . . . . 0.0 111.068 179.71 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -64.95 -31.48 56.17 Favored 'Trans proline' 0 N--CA 1.497 1.717 0 C-N-CA 121.925 1.75 . . . . 0.0 113.084 -179.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -58.51 -51.04 71.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.034 -177.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 66.8 p -118.26 -30.67 5.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.614 -178.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 50' ' ' TRP . . . 87.64 20.5 50.94 Favored Glycine 0 C--O 1.224 -0.5 0 C-N-CA 119.921 -1.133 . . . . 0.0 111.097 -179.081 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.549 ' OH ' ' CH2' ' A' ' 17' ' ' TRP . 29.4 m-85 -82.47 164.01 21.21 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.159 -0.616 . . . . 0.0 110.774 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.456 ' CG2' HH12 ' A' ' 49' ' ' ARG . 64.8 t -58.85 125.6 15.13 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.464 -179.255 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.3 tptm -76.17 -53.55 8.12 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.719 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -143.56 145.47 32.56 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.391 -179.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.6 tp -146.17 128.41 15.75 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.083 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.481 ' O ' ' CE2' ' A' ' 32' ' ' TYR . 32.7 tt0 -81.46 135.16 35.62 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.907 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.5 mtm180 -77.09 164.81 25.35 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.785 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.495 ' N ' ' O ' ' A' ' 30' ' ' ALA . 14.0 mtt180 -64.25 -6.48 6.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.995 179.508 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -98.68 8.3 45.1 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.119 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 75.99 -4.12 2.43 Favored 'General case' 0 CA--C 1.522 -0.134 0 CA-C-O 120.846 0.355 . . . . 0.0 110.638 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 24.1 p -78.21 129.59 35.29 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.01 179.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -74.86 127.33 32.94 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.138 -179.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -122.64 112.27 17.77 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.164 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -83.35 136.71 34.25 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.197 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -105.63 151.89 23.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.542 179.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -103.23 124.21 48.2 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.374 179.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.8 pttm -49.04 -37.35 20.58 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.186 -0.605 . . . . 0.0 110.308 179.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 . . . . . 0 C--N 1.329 -0.325 0 C-N-CA 120.626 -0.429 . . . . 0.0 109.94 178.809 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt . . . . . 0 N--CA 1.455 -0.215 0 CA-C-O 120.88 0.372 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.484 ' O ' ' CG2' ' A' ' 83' ' ' VAL . 98.4 mt-10 -81.38 -33.24 32.45 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.521 -0.472 . . . . 0.0 110.617 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 50.2 t -58.5 -47.9 86.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 C-N-CA 120.283 -0.567 . . . . 0.0 109.789 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 48.2 t-80 -60.83 -44.87 96.36 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.502 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 36.7 mtmt -72.89 -26.96 61.62 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.956 179.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.484 ' CG2' ' O ' ' A' ' 79' ' ' GLU . 54.0 t -76.69 134.64 28.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.286 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.514 ' O ' ' NE2' ' A' ' 28' ' ' GLN . 53.9 pttt -104.41 141.65 35.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.084 179.354 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 19.0 t -106.39 119.07 55.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 -179.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.539 ' O ' ' CD1' ' A' ' 86' ' ' TYR . 0.7 OUTLIER -89.35 140.85 29.09 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.707 -179.554 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 5.8 m -127.88 131.7 69.46 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.132 0 CA-C-O 121.17 0.51 . . . . 0.0 110.667 179.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 14.7 p90 . . . . . 0 C--O 1.219 -0.541 0 CA-C-O 118.047 -0.978 . . . . 0.0 110.62 179.978 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 121.16 0.505 . . . . 0.0 111.016 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.8 mp -135.27 130.93 51.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.692 179.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.3 m -122.44 177.13 5.53 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.446 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.28 134.29 55.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.056 -179.596 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -48.35 154.54 0.6 Allowed 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.023 -179.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.14 -44.87 4.66 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 120.644 -0.422 . . . . 0.0 111.385 -179.352 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.6 tptt -141.78 -177.28 5.12 Favored 'General case' 0 C--O 1.22 -0.468 0 C-N-CA 120.436 -0.505 . . . . 0.0 110.541 -179.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 15.7 t90 -90.59 119.62 31.0 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 120.336 -0.545 . . . . 0.0 111.47 -178.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 42.3 t -157.94 156.86 32.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.829 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -45.93 -27.51 0.91 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.099 -179.672 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -66.59 -50.08 64.22 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.201 0.524 . . . . 0.0 110.134 179.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.408 ' O ' ' C ' ' A' ' 22' ' ' GLU . 19.4 mm -71.51 -58.5 5.03 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.499 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.074 -179.578 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 21' ' ' ILE . 6.3 tp10 -43.17 -48.47 6.44 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.381 -0.528 . . . . 0.0 109.621 -178.642 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.402 ' ND2' ' C ' ' A' ' 23' ' ' ASN . 1.1 t30 -61.23 -48.3 82.12 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.771 179.337 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 31.6 mt -57.06 -36.01 70.02 Favored 'General case' 0 C--O 1.221 -0.426 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 -178.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -59.52 -47.49 85.31 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.579 -0.448 . . . . 0.0 109.898 178.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.511 ' NH2' ' O ' ' A' ' 70' ' ' ASN . 86.2 mtt180 -61.09 -49.83 75.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.471 -179.716 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -63.29 -48.48 77.96 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 120.893 0.378 . . . . 0.0 110.672 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.589 ' NE2' ' O ' ' A' ' 84' ' ' LYS . 73.3 mt-30 -57.37 -41.24 79.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.319 -179.678 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 50.7 mm-40 -58.75 -39.53 81.24 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.568 -0.453 . . . . 0.0 109.992 178.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.88 -14.95 62.58 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.073 179.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 103.52 1.53 46.91 Favored Glycine 0 CA--C 1.528 0.892 0 N-CA-C 111.402 -0.679 . . . . 0.0 111.402 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.49 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 12.5 m-85 -99.02 145.88 26.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.962 0.41 . . . . 0.0 110.204 -179.145 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.657 ' HE ' ' N ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -79.47 -37.97 35.6 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.496 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -161.75 170.88 18.81 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.657 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -50.39 -25.78 4.26 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.153 -179.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.404 HG21 HD12 ' A' ' 36' ' ' ILE . 95.3 mt -59.87 -48.85 86.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.914 -179.48 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -64.54 -40.71 96.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.91 0.385 . . . . 0.0 110.471 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -60.13 -46.92 88.0 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.427 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.559 ' O ' ' N ' ' A' ' 43' ' ' GLN . 97.8 mttt -61.48 -39.0 89.32 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.554 -0.293 . . . . 0.0 111.471 -179.47 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -61.38 -46.03 91.86 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.86 0.362 . . . . 0.0 110.804 -179.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.0 t -62.37 -41.21 90.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.041 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -91.72 -7.0 50.98 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.606 -179.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.559 ' N ' ' O ' ' A' ' 39' ' ' LYS . 77.1 mm-40 51.74 50.23 19.14 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.631 -0.428 . . . . 0.0 111.041 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 30.3 m -129.5 -173.49 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.364 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -138.85 32.38 2.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.859 -179.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 16.4 ptm -162.19 149.92 14.3 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.762 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 10.8 t -128.97 136.66 59.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -64.43 128.93 37.91 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.867 0.365 . . . . 0.0 110.55 -179.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -143.68 166.54 24.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.645 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 81.1 m95 -99.9 142.34 24.43 Favored Pre-proline 0 CA--C 1.534 0.359 0 C-N-CA 120.279 -0.568 . . . . 0.0 110.874 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -65.82 -36.34 32.07 Favored 'Trans proline' 0 N--CA 1.497 1.697 0 C-N-CA 122.274 1.983 . . . . 0.0 112.897 -179.23 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -41.34 -48.3 3.65 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.606 -178.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.5 ' OG1' ' CD2' ' A' ' 55' ' ' TYR . 13.0 p -135.31 -36.64 0.8 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.4 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 102.15 34.74 4.15 Favored Glycine 0 CA--C 1.524 0.613 0 C-N-CA 120.885 -0.674 . . . . 0.0 111.88 -179.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.5 ' CD2' ' OG1' ' A' ' 53' ' ' THR . 54.7 m-85 -91.72 165.63 13.19 Favored 'General case' 0 C--O 1.237 0.426 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 178.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 59.6 t -63.07 119.78 7.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.07 -178.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 75.5 tttt -74.03 -49.64 23.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.121 179.13 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 61.0 pttt -150.07 154.08 37.52 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.608 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -151.26 135.21 16.57 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-O 121.154 0.502 . . . . 0.0 110.622 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -77.67 136.3 38.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.718 -0.673 . . . . 0.0 109.545 179.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 54.1 mtm180 -81.36 172.36 13.66 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.13 0.49 . . . . 0.0 111.184 -179.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 9.5 mmt-85 -70.25 -11.1 60.67 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.113 -0.948 . . . . 0.0 110.128 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.428 ' O ' ' CB ' ' A' ' 64' ' ' ASN . 96.7 m-20 -96.81 4.67 51.6 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.95 -179.755 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.428 ' CB ' ' O ' ' A' ' 63' ' ' ASP . 2.2 m-20 80.63 0.65 1.87 Allowed 'General case' 0 C--N 1.341 0.234 0 CA-C-O 120.776 0.322 . . . . 0.0 110.668 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 11.6 p -86.66 132.51 33.86 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.176 179.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -80.19 133.01 35.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.525 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -128.83 119.64 24.85 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.826 0.346 . . . . 0.0 110.17 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -82.41 136.26 34.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.605 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -106.43 163.81 12.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.825 179.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.591 ' ND2' ' O ' ' A' ' 70' ' ' ASN . 0.0 OUTLIER -96.83 133.12 41.84 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.825 -179.804 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 22.7 pttt -71.75 -21.41 61.75 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.408 0.623 . . . . 0.0 110.542 179.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.323 -0.549 0 C-N-CA 120.373 -0.531 . . . . 0.0 109.924 -179.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.238 0.499 0 CA-C-O 121.129 0.49 . . . . 0.0 110.397 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.531 ' O ' ' CG2' ' A' ' 83' ' ' VAL . 1.5 tp10 -81.14 -38.02 27.86 Favored 'General case' 0 C--O 1.222 -0.374 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 66.5 t -58.01 -39.3 71.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 C-N-CA 120.347 -0.541 . . . . 0.0 110.472 179.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 64.2 m170 -70.99 -43.01 68.89 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -178.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.77 -20.95 34.88 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 120.726 -0.39 . . . . 0.0 111.18 -179.033 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.531 ' CG2' ' O ' ' A' ' 79' ' ' GLU . 44.1 t -74.47 130.8 35.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.37 0.605 . . . . 0.0 111.465 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.589 ' O ' ' NE2' ' A' ' 28' ' ' GLN . 21.3 pttm -114.87 128.5 56.33 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.032 179.307 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 20.6 t -108.31 130.83 60.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.929 0.395 . . . . 0.0 110.958 -178.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.439 ' O ' ' CD1' ' A' ' 86' ' ' TYR . 0.3 OUTLIER -83.34 157.99 22.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.009 -179.831 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 4.0 p -127.04 131.23 71.07 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 CA-C-O 121.072 0.463 . . . . 0.0 110.173 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 9.3 p90 . . . . . 0 C--O 1.219 -0.514 0 CA-C-O 117.87 -1.062 . . . . 0.0 110.364 -179.842 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 45.3 m . . . . . 0 N--CA 1.456 -0.142 0 CA-C-O 120.944 0.402 . . . . 0.0 110.687 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.5 mp -133.54 134.81 56.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.643 179.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 41.2 t -122.74 176.22 6.08 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.397 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? -113.21 129.74 56.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.507 -179.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.45 150.63 48.03 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.811 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -115.36 13.6 16.61 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 179.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.73 ' CD ' ' H ' ' A' ' 17' ' ' TRP . 55.6 tptt -172.43 172.71 4.31 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.039 177.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.73 ' H ' ' CD ' ' A' ' 16' ' ' LYS . 59.5 t90 -97.33 123.88 41.28 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.41 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.41 ' O ' ' N ' ' A' ' 21' ' ' ILE . 93.7 p -152.68 155.46 37.31 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.067 179.099 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -44.96 -25.32 0.3 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.225 -179.243 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -69.64 -42.38 74.36 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 179.083 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.41 ' N ' ' O ' ' A' ' 18' ' ' SER . 19.0 mm -73.03 -58.84 4.13 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.468 0 C-N-CA 120.678 -0.409 . . . . 0.0 110.01 -179.342 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.0 tp10 -47.23 -48.3 24.34 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.219 -0.592 . . . . 0.0 110.539 -178.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -56.67 -47.71 79.23 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.6 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 73.5 mt -59.92 -40.16 87.9 Favored 'General case' 0 CA--C 1.511 -0.548 0 C-N-CA 120.309 -0.557 . . . . 0.0 110.152 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -60.76 -49.0 79.25 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.171 -0.611 . . . . 0.0 110.169 178.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -61.43 -45.72 93.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.231 -179.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -63.69 -49.13 74.34 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.98 0.419 . . . . 0.0 110.484 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -58.62 -39.79 81.49 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.1 -179.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -60.55 -42.77 97.26 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.645 -0.422 . . . . 0.0 109.909 178.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.2 -16.24 61.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.351 179.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 100.47 3.31 55.38 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 111.515 -0.634 . . . . 0.0 111.515 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.533 ' CE2' ' O ' ' A' ' 60' ' ' GLN . 11.2 m-30 -94.02 146.42 23.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.459 0.647 . . . . 0.0 110.109 -179.609 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.635 ' NE ' ' N ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -79.91 -42.07 24.84 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.437 -178.642 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.535 ' CG ' ' H ' ' A' ' 35' ' ' GLU . 18.7 t70 -170.45 179.8 3.24 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.698 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.535 ' H ' ' CG ' ' A' ' 34' ' ' ASP . 99.1 mt-10 -46.3 -27.83 1.14 Allowed 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.502 -179.259 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 90.2 mt -58.63 -48.65 85.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.992 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 50.2 tp10 -67.56 -42.84 81.95 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.323 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -59.08 -46.84 87.26 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.415 -0.514 . . . . 0.0 111.122 -178.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.53 ' O ' ' N ' ' A' ' 43' ' ' GLN . 60.8 mttp -61.38 -39.63 91.36 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.859 0.362 . . . . 0.0 110.853 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -62.55 -42.58 99.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.601 179.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 67.1 t -64.08 -43.68 97.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 120.81 0.338 . . . . 0.0 110.628 -179.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.467 ' N ' ' CD ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -91.11 -4.34 56.31 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.539 -179.58 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.53 ' N ' ' O ' ' A' ' 39' ' ' LYS . 14.5 mm100 52.41 48.12 23.28 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.613 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 23.5 m -123.5 -172.23 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.417 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -133.91 20.56 3.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.817 -179.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.437 ' SD ' ' C ' ' A' ' 46' ' ' MET . 4.1 ppp? -158.62 152.79 23.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.726 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.453 ' CG2' ' HZ2' ' A' ' 39' ' ' LYS . 19.4 t -111.07 136.9 45.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.204 -179.685 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -75.52 124.03 26.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.502 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.547 ' NE ' ' O ' ' A' ' 54' ' ' GLY . 29.4 mtp180 -143.56 169.92 16.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.733 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.432 ' O ' ' N ' ' A' ' 54' ' ' GLY . 89.0 m95 -96.32 143.21 25.72 Favored Pre-proline 0 C--O 1.219 -0.506 0 C-N-CA 120.363 -0.535 . . . . 0.0 111.23 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -66.41 -27.76 46.9 Favored 'Trans proline' 0 N--CA 1.497 1.697 0 C-N-CA 122.09 1.86 . . . . 0.0 112.579 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -53.63 -53.59 49.73 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.936 -178.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.523 ' OG1' ' CD2' ' A' ' 55' ' ' TYR . 76.3 p -124.96 -27.6 3.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.287 -179.717 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.547 ' O ' ' NE ' ' A' ' 49' ' ' ARG . . . 93.87 19.21 34.8 Favored Glycine 0 CA--C 1.521 0.442 0 C-N-CA 120.174 -1.013 . . . . 0.0 111.317 -179.41 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.523 ' CD2' ' OG1' ' A' ' 53' ' ' THR . 27.4 m-85 -82.56 153.59 25.44 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.503 -0.479 . . . . 0.0 110.942 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 32.7 t -57.26 125.62 13.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.984 -178.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.421 ' CD ' ' CZ2' ' A' ' 50' ' ' TRP . 25.8 ttpp -75.32 -48.62 22.26 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.074 179.707 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -144.81 146.72 32.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.197 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.6 tp -144.66 133.13 21.97 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.183 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.533 ' O ' ' CE2' ' A' ' 32' ' ' TYR . 21.9 tt0 -84.76 132.66 34.41 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.124 0.487 . . . . 0.0 111.146 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.3 mtm180 -76.92 170.44 16.49 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.791 -179.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 17.9 ttt180 -67.87 -7.65 29.86 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.943 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -99.25 8.75 44.49 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.179 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 76.6 -4.77 2.3 Favored 'General case' 0 CA--C 1.521 -0.151 0 CA-C-O 120.907 0.384 . . . . 0.0 110.586 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 19.0 p -78.52 128.92 34.23 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.414 179.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -75.09 126.93 32.05 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.301 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -119.44 115.58 24.37 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.219 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 -82.52 137.48 34.59 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.431 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -108.86 152.87 24.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.751 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -97.49 134.75 40.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.866 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.9 pttp -76.22 -28.65 57.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.163 0.506 . . . . 0.0 110.27 179.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 . . . . . 0 C--N 1.321 -0.668 0 C-N-CA 120.192 -0.603 . . . . 0.0 110.242 179.316 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt . . . . . 0 C--O 1.234 0.252 0 CA-C-O 121.002 0.43 . . . . 0.0 110.755 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -81.1 -32.31 33.92 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.52 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 53.6 t -56.84 -45.09 83.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -69.67 -40.85 76.18 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.149 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.77 -28.8 64.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.787 0.327 . . . . 0.0 110.97 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 90.1 t -89.02 137.22 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 26.3 mttm -110.32 161.33 15.73 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.28 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.6 t -118.48 125.17 74.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-O 120.845 0.355 . . . . 0.0 110.173 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.599 ' CD1' ' O ' ' A' ' 86' ' ' TYR . 0.2 OUTLIER -90.03 144.02 26.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.818 -179.524 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.2 m -130.14 121.03 50.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.147 0.499 . . . . 0.0 110.8 179.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 44.0 p90 . . . . . 0 C--O 1.219 -0.525 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.338 179.871 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 49.6 m . . . . . 0 CA--C 1.527 0.084 0 CA-C-O 121.062 0.458 . . . . 0.0 110.679 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.1 mp -130.87 128.69 63.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.333 179.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.7 m -123.34 178.42 5.15 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.364 -179.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.48 135.47 53.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.838 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.28 152.87 44.02 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.728 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.449 ' CB ' ' HZ2' ' A' ' 15' ' ' LYS . 5.2 ttpm? -95.19 -40.64 9.48 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 120.784 0.326 . . . . 0.0 111.0 -179.758 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -147.29 150.36 34.64 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.616 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 53.4 t90 -53.28 135.69 38.13 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.53 -179.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 m -163.33 161.49 24.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.538 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -46.7 -35.36 5.98 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.403 -179.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -66.65 -43.76 83.74 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.354 179.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.6 mm -71.02 -59.18 3.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 -179.411 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.411 ' CD ' ' N ' ' A' ' 23' ' ' ASN . 3.5 tm-20 -40.33 -51.49 2.77 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 123.418 0.449 . . . . 0.0 110.609 -179.056 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.411 ' N ' ' CD ' ' A' ' 22' ' ' GLU . 1.7 t30 -60.22 -49.25 78.36 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.335 -179.581 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 76.9 mt -58.2 -41.45 84.03 Favored 'General case' 0 CA--C 1.512 -0.493 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.295 -179.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -58.83 -49.61 77.07 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.222 178.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.535 ' NH1' ' O ' ' A' ' 56' ' ' VAL . 94.6 mtt180 -61.3 -46.11 91.66 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-O 121.421 0.629 . . . . 0.0 109.869 -179.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.428 ' CE2' ' C ' ' A' ' 34' ' ' ASP . 7.8 m-85 -63.35 -50.26 70.65 Favored 'General case' 0 C--N 1.321 -0.655 0 O-C-N 121.63 -0.669 . . . . 0.0 110.883 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -57.67 -47.28 82.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.829 -179.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.522 HE21 ' HH ' ' A' ' 69' ' ' TYR . 1.9 pp0? -62.48 -23.61 67.02 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.112 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.36 -16.87 31.85 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.988 -179.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 101.46 0.92 53.47 Favored Glycine 0 CA--C 1.528 0.897 0 N-CA-C 111.445 -0.662 . . . . 0.0 111.445 -179.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.525 ' CE1' ' O ' ' A' ' 60' ' ' GLN . 2.8 m-85 -97.56 148.54 23.16 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 -178.762 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.525 ' NH1' HH12 ' A' ' 62' ' ' ARG . 0.0 OUTLIER -83.13 -40.56 19.61 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.737 -179.8 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.499 ' N ' ' OD1' ' A' ' 34' ' ' ASP . 10.1 p-10 -169.97 179.31 3.64 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.384 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -45.75 -31.35 1.97 Allowed 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.785 -179.081 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 86.7 mt -56.54 -48.13 80.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 C-N-CA 120.672 -0.411 . . . . 0.0 111.315 -179.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -68.35 -41.4 80.74 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.884 -0.327 . . . . 0.0 111.145 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.436 ' C ' ' CD1' ' A' ' 38' ' ' TYR . 1.9 t80 -57.27 -50.14 73.86 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 119.979 -0.688 . . . . 0.0 111.003 -178.132 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.556 ' O ' ' N ' ' A' ' 43' ' ' GLN . 63.4 mttp -62.94 -40.89 99.04 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.527 -179.084 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -61.34 -45.32 94.89 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.394 -179.229 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 49.0 t -59.56 -44.0 92.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.577 -179.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.5 mmtp -97.66 1.08 48.26 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.127 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.556 ' N ' ' O ' ' A' ' 39' ' ' LYS . 26.1 mt-30 47.57 50.55 14.9 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.959 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 18.7 m -119.2 -170.32 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.366 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -146.51 31.27 0.99 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.714 -179.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 21.9 ptt? -162.05 145.04 11.75 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.692 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 39.5 t -118.79 131.02 72.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.236 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -71.84 127.39 32.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.457 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.467 ' CZ ' ' O ' ' A' ' 54' ' ' GLY . 33.1 mtp180 -142.72 167.05 23.01 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.411 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.524 ' O ' ' N ' ' A' ' 54' ' ' GLY . 77.0 m95 -97.79 138.5 21.03 Favored Pre-proline 0 C--O 1.217 -0.651 0 C-N-CA 120.119 -0.632 . . . . 0.0 110.801 -179.582 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -64.65 -27.58 60.82 Favored 'Trans proline' 0 C--N 1.303 -1.833 0 C-N-CA 122.439 2.093 . . . . 0.0 112.579 -179.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -55.07 -51.85 65.06 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.737 -178.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.1 p -122.72 -28.72 4.12 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.012 179.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 50' ' ' TRP . . . 89.5 22.18 38.08 Favored Glycine 0 N--CA 1.463 0.441 0 C-N-CA 120.605 -0.807 . . . . 0.0 111.516 -179.819 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -82.59 157.87 23.28 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.936 -0.305 . . . . 0.0 110.774 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.535 ' O ' ' NH1' ' A' ' 26' ' ' ARG . 57.4 t -56.23 125.34 11.6 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.132 -179.291 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 33.0 tttm -73.63 -46.93 43.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.128 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 61.5 pttt -154.34 153.53 31.81 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.027 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -148.14 130.95 16.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.932 179.617 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.525 ' O ' ' CE1' ' A' ' 32' ' ' TYR . 30.6 tt0 -78.28 133.81 37.61 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.048 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 21.8 mtm180 -76.9 166.83 22.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.064 -179.424 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.525 HH12 ' NH1' ' A' ' 33' ' ' ARG . 11.8 ttt180 -67.0 -7.46 22.66 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.368 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -98.78 7.79 45.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.925 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 72.36 36.33 1.06 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.597 0.237 . . . . 0.0 111.227 179.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 32.2 p -120.49 130.7 54.39 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.071 179.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -79.42 123.05 27.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.554 -179.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -119.19 123.25 43.88 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.341 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -88.98 132.91 34.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.434 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.522 ' HH ' HE21 ' A' ' 29' ' ' GLN . 73.9 m-85 -103.15 157.73 16.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.843 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.41 HD22 ' HB2' ' A' ' 72' ' ' GLU . 5.5 t30 -99.06 118.93 36.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.997 179.422 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.1 pttm -55.19 -32.02 61.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.996 0.427 . . . . 0.0 110.625 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.41 ' HB2' HD22 ' A' ' 70' ' ' ASN . 99.2 mt-10 . . . . . 0 C--N 1.323 -0.567 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 179.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.4 ttpp . . . . . 0 C--O 1.236 0.347 0 CA-C-O 120.941 0.401 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.516 ' O ' ' CG2' ' A' ' 83' ' ' VAL . 1.8 mp0 -81.4 -35.21 31.0 Favored 'General case' 0 C--O 1.219 -0.541 0 CA-C-O 121.153 0.501 . . . . 0.0 110.666 179.757 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 33.7 t -61.58 -43.28 96.72 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 C-N-CA 120.246 -0.582 . . . . 0.0 110.112 -179.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 35.2 m80 -66.51 -44.12 83.4 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.48 -21.86 55.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.951 0.405 . . . . 0.0 111.186 179.723 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.516 ' CG2' ' O ' ' A' ' 79' ' ' GLU . 54.6 t -82.35 136.55 22.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.136 179.287 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -106.36 157.87 17.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.177 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 31.6 t -127.15 120.28 54.91 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.135 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -87.05 147.84 25.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.808 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 5.0 p -128.75 129.14 68.36 Favored 'Isoleucine or valine' 0 C--O 1.232 0.173 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.462 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 7.5 p90 . . . . . 0 C--O 1.219 -0.536 0 CA-C-O 118.079 -0.963 . . . . 0.0 110.462 179.73 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.5 m . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.824 0.345 . . . . 0.0 110.737 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.7 mp -133.99 131.7 55.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.007 179.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.6 t -124.37 -179.7 4.57 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.522 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 -114.82 134.23 55.3 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.064 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.52 152.1 26.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.533 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 69.4 mttt -100.64 -42.98 6.31 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.808 -179.013 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -147.41 150.34 34.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.715 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 61.0 t90 -52.73 135.62 34.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.815 179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -164.41 161.41 21.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.358 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -48.68 -37.47 18.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.513 -179.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -68.31 -43.94 76.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.855 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.4 ' O ' ' C ' ' A' ' 22' ' ' GLU . 8.1 mm -70.94 -60.25 2.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.273 -179.603 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.51 ' OE1' ' CZ ' ' A' ' 55' ' ' TYR . 88.2 tt0 -40.46 -47.99 2.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.268 -179.383 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -61.33 -48.93 79.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.204 179.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 68.3 mt -58.42 -39.27 79.32 Favored 'General case' 0 CA--C 1.512 -0.506 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.739 -179.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -58.39 -50.02 75.17 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.263 178.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.519 ' NH2' ' O ' ' A' ' 70' ' ' ASN . 94.0 mtt180 -62.12 -45.58 92.86 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 -179.607 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -60.67 -51.78 67.91 Favored 'General case' 0 CA--C 1.527 0.09 0 CA-C-N 116.493 -0.322 . . . . 0.0 110.319 179.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.549 ' NE2' ' O ' ' A' ' 84' ' ' LYS . 65.1 mt-30 -56.16 -41.63 75.73 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.124 -179.583 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 52.3 mm-40 -60.59 -41.81 95.45 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.753 178.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.514 ' O ' ' N ' ' A' ' 62' ' ' ARG . . . -72.48 -18.4 61.68 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.907 0.384 . . . . 0.0 110.453 179.461 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.433 ' O ' ' NE ' ' A' ' 62' ' ' ARG . . . 105.56 0.22 40.01 Favored Glycine 0 CA--C 1.527 0.817 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.535 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.529 ' CE2' ' O ' ' A' ' 60' ' ' GLN . 13.4 m-85 -95.74 148.88 22.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.078 0.466 . . . . 0.0 110.66 179.729 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.0 -39.13 15.95 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.764 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.432 ' CG ' ' H ' ' A' ' 35' ' ' GLU . 39.0 t0 -166.33 173.62 9.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.699 -179.668 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.432 ' H ' ' CG ' ' A' ' 34' ' ' ASP . 15.4 pt-20 -44.12 -30.66 0.79 Allowed 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.954 -179.2 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 95.0 mt -57.68 -48.72 82.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 C-N-CA 120.737 -0.385 . . . . 0.0 111.063 -178.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -69.12 -44.18 72.9 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.932 0.396 . . . . 0.0 111.397 -179.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.44 ' O ' ' CD1' ' A' ' 38' ' ' TYR . 2.0 t80 -59.54 -49.78 76.45 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-O 121.55 0.691 . . . . 0.0 110.801 -178.269 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.593 ' O ' ' N ' ' A' ' 43' ' ' GLN . 58.1 mtpt -60.06 -38.78 83.84 Favored 'General case' 0 C--O 1.222 -0.345 0 O-C-N 122.083 -0.386 . . . . 0.0 110.618 -178.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -64.21 -39.39 93.88 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.821 0.344 . . . . 0.0 110.455 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 64.2 t -59.14 -45.36 92.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.802 -178.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.435 ' HZ2' ' CB ' ' A' ' 60' ' ' GLN . 41.8 mmtm -102.65 -0.28 32.1 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.043 179.726 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.593 ' N ' ' O ' ' A' ' 39' ' ' LYS . 45.4 tt0 46.99 67.63 0.76 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.669 -179.564 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.1 m -119.51 -163.5 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.456 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -123.14 -33.87 3.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.733 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.5 mmt -134.92 160.68 37.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.825 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 97.2 t -104.37 142.04 18.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.443 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -74.48 118.45 17.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.935 0.398 . . . . 0.0 110.263 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 25.6 mtp85 -137.54 172.54 12.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.295 -179.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 73.8 m95 -101.53 143.01 25.75 Favored Pre-proline 0 C--O 1.221 -0.422 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.033 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -66.7 -26.79 45.47 Favored 'Trans proline' 0 C--N 1.303 -1.853 0 C-N-CA 122.506 2.137 . . . . 0.0 112.395 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -54.48 -53.46 54.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.971 -178.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.584 ' OG1' ' CD2' ' A' ' 55' ' ' TYR . 75.1 p -125.17 -32.09 3.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.954 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 97.43 25.25 11.13 Favored Glycine 0 C--O 1.224 -0.485 0 C-N-CA 120.658 -0.782 . . . . 0.0 111.234 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.584 ' CD2' ' OG1' ' A' ' 53' ' ' THR . 23.1 m-85 -85.51 161.78 19.21 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-O 120.604 0.24 . . . . 0.0 110.641 179.372 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 38.9 t -63.42 125.59 20.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.482 -178.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 75.5 tttt -78.26 -51.21 10.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.679 179.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 63.5 pttt -137.88 143.83 41.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.116 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 9.1 tp -147.9 128.27 13.95 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.529 ' O ' ' CE2' ' A' ' 32' ' ' TYR . 24.6 tt0 -80.78 132.65 35.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.693 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 7.3 mtm180 -76.96 166.79 22.85 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.8 -179.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.514 ' N ' ' O ' ' A' ' 30' ' ' ALA . 7.7 mtt-85 -65.58 -7.0 12.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.491 179.629 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.418 ' O ' ' CB ' ' A' ' 64' ' ' ASN . 96.5 m-20 -99.07 6.76 46.43 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.693 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.418 ' CB ' ' O ' ' A' ' 63' ' ' ASP . 2.5 m-20 78.27 -2.74 2.38 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-O 120.884 0.373 . . . . 0.0 110.639 179.758 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 23.9 p -81.01 127.64 32.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.404 179.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -76.12 127.97 34.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.469 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -125.68 116.89 22.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.297 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -81.84 139.06 34.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.419 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -108.55 157.96 17.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.835 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.519 ' O ' ' NH2' ' A' ' 26' ' ' ARG . 2.3 p-10 -99.76 138.76 36.4 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.686 179.649 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 40.1 pttt -82.38 -11.64 58.43 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.82 179.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 . . . . . 0 CA--C 1.509 -0.6 0 CA-C-O 118.956 -0.545 . . . . 0.0 110.952 -178.881 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 98.5 mttt . . . . . 0 C--O 1.24 0.603 0 CA-C-O 121.107 0.48 . . . . 0.0 110.75 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.513 ' O ' ' CG2' ' A' ' 83' ' ' VAL . 47.4 mp0 -78.21 -35.72 48.16 Favored 'General case' 0 C--O 1.213 -0.847 0 CA-C-O 121.164 0.506 . . . . 0.0 110.692 179.404 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 55.3 t -57.07 -47.17 84.18 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.914 0 C-N-CA 120.178 -0.609 . . . . 0.0 110.139 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 16.6 t-160 -62.02 -46.92 87.08 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.385 -0.526 . . . . 0.0 111.862 -178.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.416 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -77.9 -25.06 48.26 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.675 -0.41 . . . . 0.0 111.821 -179.748 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.513 ' CG2' ' O ' ' A' ' 79' ' ' GLU . 24.0 t -71.26 132.19 33.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.26 -179.769 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.549 ' O ' ' NE2' ' A' ' 28' ' ' GLN . 29.8 mtmm -109.51 123.73 49.88 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.969 179.157 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 21.8 t -95.64 121.18 45.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.918 0.39 . . . . 0.0 110.656 -179.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.501 ' O ' ' CD1' ' A' ' 86' ' ' TYR . 0.4 OUTLIER -81.77 149.7 28.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.595 -179.931 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 8.8 m -126.27 137.4 57.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.656 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 50.4 p90 . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 117.911 -1.042 . . . . 0.0 110.512 179.755 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 72.1 m . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 120.911 0.386 . . . . 0.0 110.658 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.3 mp -135.69 134.87 51.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.79 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 20.6 t -115.48 178.57 4.25 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.451 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.43 127.56 55.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.676 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.55 146.71 53.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.553 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.5 mmtm -103.88 -40.74 6.12 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.158 179.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.91 ' CD ' ' H ' ' A' ' 17' ' ' TRP . 0.4 OUTLIER -125.86 175.2 7.82 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.115 178.899 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.91 ' H ' ' CD ' ' A' ' 16' ' ' LYS . 64.4 t90 -95.89 131.96 41.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.207 178.645 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 21' ' ' ILE . 50.4 m -159.97 159.84 32.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.754 179.59 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.2 pt-20 -44.13 -28.37 0.49 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.231 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -68.22 -44.0 76.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.384 179.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.425 ' N ' ' O ' ' A' ' 18' ' ' SER . 8.4 mm -72.44 -60.95 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.283 -0.417 . . . . 0.0 109.898 -179.423 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.47 ' CD ' ' N ' ' A' ' 23' ' ' ASN . 2.3 tm-20 -39.87 -51.13 2.46 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.589 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.47 ' N ' ' CD ' ' A' ' 22' ' ' GLU . 1.5 t30 -58.15 -49.63 76.31 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.031 -179.356 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 75.9 mt -57.82 -40.92 81.13 Favored 'General case' 0 CA--C 1.513 -0.468 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.476 -179.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -59.32 -49.15 78.95 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 178.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.447 ' NH2' ' O ' ' A' ' 70' ' ' ASN . 95.0 mtt180 -61.48 -47.22 86.65 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.0 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -61.29 -50.48 72.83 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-O 120.858 0.361 . . . . 0.0 110.568 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -57.08 -41.7 79.3 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.884 -179.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.462 ' O ' ' NH1' ' A' ' 62' ' ' ARG . 80.4 mm-40 -61.37 -39.8 91.96 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.809 0.338 . . . . 0.0 110.489 178.509 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.16 -16.33 61.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.367 179.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 102.89 7.31 44.63 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.561 -0.615 . . . . 0.0 111.561 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -108.6 151.51 26.03 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.818 0.342 . . . . 0.0 110.507 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.04 -39.02 16.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.114 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -170.61 179.87 3.15 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.507 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -40.8 -36.18 0.59 Allowed 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.376 -179.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 94.4 mt -48.01 -62.3 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 C-N-CA 120.789 -0.364 . . . . 0.0 111.375 -179.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.445 ' OE1' ' CG2' ' A' ' 41' ' ' VAL . 1.1 tm-20 -65.03 -48.37 74.09 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.861 -0.335 . . . . 0.0 111.58 -179.126 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.448 ' C ' ' CD1' ' A' ' 38' ' ' TYR . 1.7 t80 -53.21 -51.17 63.0 Favored 'General case' 0 N--CA 1.444 -0.733 0 C-N-CA 120.098 -0.641 . . . . 0.0 110.779 -177.602 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.604 ' O ' ' N ' ' A' ' 43' ' ' GLN . 29.3 mttp -61.73 -42.41 98.93 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 120.891 -0.323 . . . . 0.0 110.773 -179.621 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -62.19 -40.7 96.94 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.934 -179.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.445 ' CG2' ' OE1' ' A' ' 37' ' ' GLU . 76.6 t -60.11 -46.23 94.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.958 -178.709 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 64.8 mmtt -103.95 7.52 36.7 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.853 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.604 ' N ' ' O ' ' A' ' 39' ' ' LYS . 94.0 mt-30 44.73 54.73 6.42 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.609 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 18.9 m -125.26 -170.6 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.621 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -142.97 -36.44 0.38 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 29.7 mmm -95.08 129.32 42.21 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.147 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.0 t -107.89 134.97 48.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.284 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -71.49 123.43 22.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.811 0.339 . . . . 0.0 110.488 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.53 ' NE ' ' O ' ' A' ' 54' ' ' GLY . 33.2 mtp180 -141.76 164.29 30.6 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.478 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.476 ' O ' ' N ' ' A' ' 54' ' ' GLY . 75.0 m95 -93.86 139.21 22.61 Favored Pre-proline 0 C--O 1.223 -0.313 0 C-N-CA 120.463 -0.495 . . . . 0.0 110.945 -179.691 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -64.25 -29.57 64.15 Favored 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 122.587 2.191 . . . . 0.0 112.546 -179.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -49.68 -50.8 42.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.418 -178.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.522 ' OG1' ' CD2' ' A' ' 55' ' ' TYR . 21.3 p -128.47 -31.69 2.25 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.978 179.547 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.53 ' O ' ' NE ' ' A' ' 49' ' ' ARG . . . 97.09 23.71 14.31 Favored Glycine 0 C--O 1.227 -0.317 0 N-CA-C 111.283 -0.727 . . . . 0.0 111.283 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.522 ' CD2' ' OG1' ' A' ' 53' ' ' THR . 28.9 m-85 -81.58 158.53 24.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.627 0.251 . . . . 0.0 110.563 179.644 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 48.5 t -59.68 124.71 14.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.836 -179.386 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 44.0 tttm -75.92 -47.02 26.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.055 179.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -145.26 145.79 31.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.234 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.2 tp -146.36 127.01 14.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.969 0.414 . . . . 0.0 110.648 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -81.47 132.88 35.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.419 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 7.9 mtt180 -75.3 171.54 14.02 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.221 0.534 . . . . 0.0 110.706 -179.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.606 ' H ' ' CD ' ' A' ' 62' ' ' ARG . 0.1 OUTLIER -68.22 -11.27 59.03 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.349 179.029 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -94.97 8.37 43.07 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.652 -179.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 18.3 m-20 70.41 37.43 1.54 Allowed 'General case' 0 C--N 1.329 -0.288 0 O-C-N 123.535 0.522 . . . . 0.0 110.839 179.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 21.6 p -118.69 126.53 52.11 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.649 179.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -73.65 120.16 18.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.334 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -119.85 118.02 29.68 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.299 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -82.12 137.03 35.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.49 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -107.71 152.11 24.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.864 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.447 ' O ' ' NH2' ' A' ' 26' ' ' ARG . 8.9 t30 -94.21 125.81 39.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.994 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 21.6 pttm -68.08 -33.13 73.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.33 0.586 . . . . 0.0 110.614 179.265 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 . . . . . 0 C--N 1.323 -0.575 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.88 179.66 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt . . . . . 0 C--O 1.237 0.445 0 CA-C-O 120.87 0.367 . . . . 0.0 110.781 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.518 ' O ' ' CG2' ' A' ' 83' ' ' VAL . 0.5 OUTLIER -79.72 -32.66 41.25 Favored 'General case' 0 C--O 1.22 -0.499 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.446 -179.607 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 72.5 t -60.71 -46.39 96.01 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 C-N-CA 120.357 -0.537 . . . . 0.0 110.369 179.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 60.7 t-80 -65.42 -45.99 81.74 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -178.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.02 -20.4 59.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.74 -179.536 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.518 ' CG2' ' O ' ' A' ' 79' ' ' GLU . 73.8 t -89.1 134.62 27.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.899 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -105.32 160.2 15.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.169 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 8.5 t -124.92 117.75 51.1 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.111 0 CA-C-O 120.857 0.36 . . . . 0.0 110.374 -179.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.585 ' CD1' ' O ' ' A' ' 86' ' ' TYR . 0.4 OUTLIER -75.09 144.1 43.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.489 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.6 m -128.39 126.8 66.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.048 0.452 . . . . 0.0 110.818 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 38.4 p90 . . . . . 0 C--O 1.221 -0.418 0 CA-C-O 117.978 -1.01 . . . . 0.0 110.421 179.756 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.8 m . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.864 0.364 . . . . 0.0 110.769 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.1 mp -133.37 123.22 46.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.353 179.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.9 m -135.39 137.14 42.02 Favored 'General case' 0 C--O 1.219 -0.533 0 C-N-CA 121.102 -0.239 . . . . 0.0 111.002 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -71.88 153.34 41.94 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.42 0.629 . . . . 0.0 109.891 -178.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.23 159.71 28.35 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.204 -179.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.81 -40.98 12.11 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 120.625 0.25 . . . . 0.0 110.417 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.1 tptt -133.52 -173.68 3.29 Favored 'General case' 0 C--O 1.226 -0.132 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.094 179.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.53 ' NE1' ' OE1' ' A' ' 22' ' ' GLU . 49.9 t90 -96.59 127.96 43.07 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.122 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 21.3 m -154.94 156.42 36.04 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.528 179.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -45.12 -28.99 0.82 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.314 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.48 ' OE1' ' N ' ' A' ' 20' ' ' GLU . 49.3 mp0 -69.58 -44.97 69.72 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.064 179.201 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.9 mm -72.52 -60.97 1.9 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.387 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.31 -179.199 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.53 ' OE1' ' NE1' ' A' ' 17' ' ' TRP . 4.0 tp10 -46.73 -46.37 20.24 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.388 -178.49 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -56.82 -49.9 74.0 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.58 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 75.2 mt -55.79 -39.95 72.0 Favored 'General case' 0 C--O 1.215 -0.729 0 C-N-CA 120.459 -0.496 . . . . 0.0 110.155 -179.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 93.1 t80 -63.3 -47.22 83.18 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.844 0.354 . . . . 0.0 110.247 178.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.424 ' O ' ' HG3' ' A' ' 29' ' ' GLN . 87.1 mtt180 -60.63 -46.86 88.71 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.329 -179.307 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -69.94 -46.57 65.04 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.932 0.396 . . . . 0.0 110.769 179.378 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -51.99 -50.62 60.95 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.833 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.447 ' CG ' ' OH ' ' A' ' 69' ' ' TYR . 0.0 OUTLIER -55.43 -18.59 7.23 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.115 0.483 . . . . 0.0 110.255 179.748 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -89.81 -17.99 27.11 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.9 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.528 ' O ' ' NH2' ' A' ' 62' ' ' ARG . . . 106.35 3.11 38.28 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.652 -0.579 . . . . 0.0 111.652 -179.758 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -105.75 146.27 30.04 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 120.954 0.407 . . . . 0.0 110.966 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.18 -35.01 31.93 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.296 179.795 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 46.6 p30 -157.0 166.53 33.09 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-O 121.044 0.449 . . . . 0.0 110.511 179.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -51.33 -27.89 10.82 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.845 -179.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 93.4 mt -58.25 -47.99 86.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.688 -178.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 33.2 tp10 -65.52 -38.88 90.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.93 0.395 . . . . 0.0 110.397 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -60.54 -47.49 85.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.586 179.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.566 ' O ' ' N ' ' A' ' 43' ' ' GLN . 98.3 mttt -60.23 -39.45 86.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.964 -178.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.411 ' O ' ' OE1' ' A' ' 43' ' ' GLN . 0.9 OUTLIER -61.45 -42.55 98.94 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.163 0.506 . . . . 0.0 110.45 -179.753 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 79.4 t -62.7 -42.54 96.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.155 -179.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.7 mmtt -96.37 -0.02 49.97 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.292 179.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.566 ' N ' ' O ' ' A' ' 39' ' ' LYS . 30.0 mm100 41.89 50.9 4.17 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.618 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.508 ' CG2' ' H ' ' A' ' 45' ' ' ALA . 8.0 m -102.26 -112.87 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.898 0.38 . . . . 0.0 110.749 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.508 ' H ' ' CG2' ' A' ' 44' ' ' VAL . . . 170.65 -24.89 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.666 -179.718 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.444 ' C ' ' SD ' ' A' ' 46' ' ' MET . 3.6 ppp? -141.67 152.02 43.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.319 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 19.4 t -109.44 136.6 44.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.299 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -61.86 129.45 41.02 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.542 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 91.1 mtt-85 -140.96 159.16 42.8 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.987 -179.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.541 ' O ' ' N ' ' A' ' 54' ' ' GLY . 67.9 m95 -92.55 138.13 24.06 Favored Pre-proline 0 C--O 1.216 -0.7 0 C-N-CA 120.222 -0.591 . . . . 0.0 110.635 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -64.11 -33.21 62.26 Favored 'Trans proline' 0 C--N 1.3 -2.008 0 C-N-CA 122.366 2.044 . . . . 0.0 112.49 -179.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -51.67 -50.56 60.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.233 -178.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 13.1 p -123.05 -30.02 3.82 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.816 0.341 . . . . 0.0 111.469 179.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.541 ' N ' ' O ' ' A' ' 50' ' ' TRP . . . 89.49 21.62 40.11 Favored Glycine 0 N--CA 1.464 0.541 0 C-N-CA 120.53 -0.843 . . . . 0.0 111.126 -179.679 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -80.56 163.37 23.74 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.621 179.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 75.9 t -60.09 123.51 12.73 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.335 0 O-C-N 123.565 0.54 . . . . 0.0 110.085 -179.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 38.7 tttm -77.24 -49.51 14.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.956 0.407 . . . . 0.0 110.989 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -150.84 148.98 29.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.75 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -147.59 129.37 15.21 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.032 179.394 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -79.14 134.03 36.72 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.305 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.3 mtm180 -78.47 172.67 13.31 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.604 0.716 . . . . 0.0 110.657 -179.151 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.528 ' NH2' ' O ' ' A' ' 31' ' ' GLY . 8.1 tpp180 -68.79 -11.13 60.04 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.387 179.154 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -95.96 12.37 30.63 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.997 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 64.63 37.94 7.44 Favored 'General case' 0 N--CA 1.454 -0.267 0 O-C-N 123.823 0.702 . . . . 0.0 111.261 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 24.5 p -117.88 126.58 52.64 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.417 179.033 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -72.27 122.97 21.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.414 -179.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -120.18 111.78 18.27 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.106 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -82.3 135.35 35.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.676 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.447 ' OH ' ' CG ' ' A' ' 29' ' ' GLN . 74.8 m-85 -105.55 153.15 22.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.369 179.568 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.594 HD22 ' CB ' ' A' ' 72' ' ' GLU . 42.1 t30 -94.31 112.55 24.35 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.681 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.478 ' HG3' ' N ' ' A' ' 72' ' ' GLU . 60.5 pttt -43.39 -37.26 2.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.118 0.485 . . . . 0.0 110.485 -179.637 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.594 ' CB ' HD22 ' A' ' 70' ' ' ASN . 2.8 tt0 . . . . . 0 C--N 1.322 -0.616 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 26.2 mmtm . . . . . 0 C--O 1.234 0.269 0 CA-C-O 121.049 0.452 . . . . 0.0 110.82 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.437 ' O ' ' CG2' ' A' ' 83' ' ' VAL . 3.8 mm-40 -82.12 -32.16 30.3 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.257 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 84.7 t -58.0 -40.51 77.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.164 0.507 . . . . 0.0 109.844 -179.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 55.4 m170 -73.43 -39.37 65.05 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.061 179.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.66 -21.43 62.6 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.719 179.484 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.437 ' CG2' ' O ' ' A' ' 79' ' ' GLU . 92.2 t -87.25 138.44 19.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.468 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -108.32 141.87 39.49 Favored 'General case' 0 C--O 1.225 -0.214 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.564 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 49.3 t -116.62 122.81 70.7 Favored 'Isoleucine or valine' 0 C--O 1.231 0.119 0 CA-C-O 120.98 0.419 . . . . 0.0 110.411 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.559 ' O ' ' CD1' ' A' ' 86' ' ' TYR . 0.4 OUTLIER -88.0 146.42 25.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.495 179.91 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.448 ' O ' ' CG1' ' A' ' 87' ' ' VAL . 4.6 p -128.41 125.76 64.46 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.455 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 20.2 p90 . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 118.062 -0.97 . . . . 0.0 110.383 179.771 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 71.3 m . . . . . 0 CA--C 1.523 -0.076 0 CA-C-O 120.798 0.332 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.6 mp -126.91 132.03 70.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.417 179.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.497 ' HG ' ' H ' ' A' ' 13' ' ' ARG . 45.8 t -122.95 178.16 5.18 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.478 -179.448 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.513 ' NH1' ' O ' ' A' ' 81' ' ' HIS . 26.3 mmt180 -117.64 132.16 56.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.785 179.676 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.3 152.41 45.02 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.592 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.63 ' H ' ' CD ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -95.16 -38.1 10.74 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.389 -179.644 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.452 ' CG ' ' N ' ' A' ' 17' ' ' TRP . 0.2 OUTLIER -136.88 -171.33 2.91 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 -179.661 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.452 ' N ' ' CG ' ' A' ' 16' ' ' LYS . 65.4 t90 -97.2 127.94 43.62 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.792 179.243 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.523 ' HG ' ' N ' ' A' ' 19' ' ' GLU . 47.2 t -155.5 156.02 34.48 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.462 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.523 ' N ' ' HG ' ' A' ' 18' ' ' SER . 25.2 pt-20 -43.76 -29.92 0.59 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.366 -179.45 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -66.02 -43.05 88.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.515 179.033 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.436 ' N ' ' O ' ' A' ' 18' ' ' SER . 6.1 mm -72.9 -58.74 4.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 109.889 -179.667 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.462 ' CD ' ' N ' ' A' ' 23' ' ' ASN . 2.3 tm-20 -43.33 -52.15 5.98 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.886 -0.412 . . . . 0.0 109.886 -179.41 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.462 ' N ' ' CD ' ' A' ' 22' ' ' GLU . 2.6 t30 -57.38 -49.43 76.2 Favored 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 120.338 -0.545 . . . . 0.0 110.622 -179.648 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 62.0 mt -57.58 -41.63 81.51 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 119.974 -0.69 . . . . 0.0 109.999 -179.151 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -60.69 -48.79 80.19 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.483 178.458 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -62.15 -45.87 91.48 Favored 'General case' 0 C--O 1.225 -0.222 0 C-N-CA 120.569 -0.453 . . . . 0.0 110.641 -179.203 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -66.31 -47.61 72.98 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.175 -0.61 . . . . 0.0 110.469 -179.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -59.2 -44.19 92.23 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.123 -179.063 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.544 ' NE2' ' OH ' ' A' ' 69' ' ' TYR . 2.3 pp0? -69.78 -22.31 63.35 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.144 -0.622 . . . . 0.0 109.652 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.97 -16.71 43.11 Favored 'General case' 0 N--CA 1.457 -0.103 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.705 179.356 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.495 ' O ' ' NE ' ' A' ' 62' ' ' ARG . . . 107.8 -0.88 33.98 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.538 -0.625 . . . . 0.0 111.538 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.537 ' CD1' ' OE1' ' A' ' 37' ' ' GLU . 2.5 m-85 -110.63 148.85 31.37 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-O 121.176 0.512 . . . . 0.0 110.021 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.79 -35.56 19.07 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.996 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.473 ' CG ' ' H ' ' A' ' 35' ' ' GLU . 39.7 t0 -171.66 -178.37 2.24 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.496 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.473 ' H ' ' CG ' ' A' ' 34' ' ' ASP . 22.8 pt-20 -44.56 -41.72 6.72 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.908 -178.419 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -47.55 -63.69 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.437 -1.095 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.661 -179.304 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.537 ' OE1' ' CD1' ' A' ' 32' ' ' TYR . 13.0 tm-20 -64.33 -40.69 96.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.065 -178.477 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.429 ' C ' ' CD1' ' A' ' 38' ' ' TYR . 1.4 t80 -59.64 -51.13 71.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.42 0.629 . . . . 0.0 110.44 -178.193 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.605 ' O ' ' N ' ' A' ' 43' ' ' GLN . 5.4 mtpm? -57.75 -39.57 77.7 Favored 'General case' 0 CA--C 1.509 -0.6 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.657 -178.428 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.436 ' O ' ' OE1' ' A' ' 43' ' ' GLN . 0.7 OUTLIER -60.68 -42.31 96.85 Favored 'General case' 0 C--N 1.319 -0.759 0 C-N-CA 120.609 -0.437 . . . . 0.0 110.655 -179.814 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 74.4 t -59.43 -46.07 93.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.709 -178.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.536 ' NZ ' ' OE1' ' A' ' 60' ' ' GLN . 38.7 mmtm -102.65 3.97 37.73 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.834 -0.347 . . . . 0.0 110.89 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.605 ' N ' ' O ' ' A' ' 39' ' ' LYS . 30.1 mm100 47.72 51.3 14.25 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.633 -179.747 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 31.9 m -124.75 -172.49 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.479 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -135.33 -34.87 0.84 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.933 -179.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 26.4 ptt? -97.94 147.86 24.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.953 -179.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 47.8 t -116.41 134.79 58.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -72.33 122.36 21.02 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 110.351 -0.24 . . . . 0.0 110.351 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 41.4 mtt180 -140.48 163.89 31.62 Favored 'General case' 0 C--O 1.233 0.218 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.337 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.498 ' O ' ' N ' ' A' ' 54' ' ' GLY . 91.3 m95 -89.86 140.43 27.77 Favored Pre-proline 0 C--O 1.221 -0.406 0 C-N-CA 120.193 -0.603 . . . . 0.0 110.981 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -65.75 -28.71 51.5 Favored 'Trans proline' 0 N--CA 1.499 1.816 0 C-N-CA 122.062 1.841 . . . . 0.0 112.965 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -57.59 -50.41 73.21 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.898 -178.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 81.9 p -119.61 -27.82 5.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.74 -179.172 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 50' ' ' TRP . . . 90.45 13.79 59.44 Favored Glycine 0 CA--C 1.524 0.627 0 C-N-CA 120.232 -0.985 . . . . 0.0 111.088 -178.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -84.6 157.09 21.31 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 120.24 -0.584 . . . . 0.0 111.112 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 38.8 t -57.43 125.97 14.26 Favored 'Isoleucine or valine' 0 C--O 1.232 0.181 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.433 -179.097 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.441 ' CD ' ' CZ2' ' A' ' 50' ' ' TRP . 24.7 ttpp -76.4 -51.37 11.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.124 179.53 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -143.17 145.37 32.75 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.292 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.421 HD12 ' CZ ' ' A' ' 38' ' ' TYR . 6.1 tp -146.36 129.84 16.85 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.162 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.536 ' OE1' ' NZ ' ' A' ' 42' ' ' LYS . 30.2 tt0 -80.25 134.09 36.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.664 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 7.4 mtm180 -76.38 171.06 15.2 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.887 -179.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.495 ' NE ' ' O ' ' A' ' 31' ' ' GLY . 7.8 mtt180 -67.85 -9.63 46.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.007 179.302 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -97.88 14.35 27.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.063 -179.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 63.65 38.2 9.64 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-O 120.769 0.318 . . . . 0.0 111.268 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 24.5 p -120.29 130.35 54.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.461 178.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 -73.36 120.85 19.54 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.3 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -118.73 114.47 22.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.123 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -82.88 135.51 34.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.726 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.544 ' OH ' ' NE2' ' A' ' 29' ' ' GLN . 58.8 m-85 -105.31 150.99 24.7 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.653 179.611 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 72' ' ' GLU . 7.7 t30 -93.8 118.05 30.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.189 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.1 ptmm? -59.4 -34.79 72.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.301 179.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.448 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 99.6 mt-10 . . . . . 0 C--N 1.321 -0.669 0 C-N-CA 120.103 -0.639 . . . . 0.0 109.876 179.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.175 0 CA-C-O 121.054 0.454 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -82.63 -30.35 29.46 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.466 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 77.6 t -58.77 -46.78 90.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.513 ' O ' ' NH1' ' A' ' 13' ' ' ARG . 69.2 m80 -67.67 -40.1 84.47 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.026 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.511 ' C ' HH12 ' A' ' 13' ' ' ARG . 0.1 OUTLIER -70.34 -27.24 64.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.857 0.36 . . . . 0.0 110.68 179.838 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 97.6 t -85.96 135.38 25.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.782 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -104.55 157.36 17.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.134 179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 17.5 t -124.53 120.45 59.03 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.562 ' CD1' ' O ' ' A' ' 86' ' ' TYR . 0.3 OUTLIER -88.42 146.69 25.09 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.953 -179.522 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.9 m -128.8 127.01 65.92 Favored 'Isoleucine or valine' 0 C--O 1.232 0.132 0 CA-C-O 121.124 0.488 . . . . 0.0 110.646 179.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 35.3 p90 . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 117.93 -1.033 . . . . 0.0 110.437 -179.92 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 41.6 m . . . . . 0 N--CA 1.454 -0.255 0 CA-C-O 120.791 0.329 . . . . 0.0 110.696 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.2 mp -130.29 131.75 65.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.348 179.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 65.3 m -120.57 176.2 5.62 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.589 -179.548 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.6 mmt85 -114.87 131.6 56.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.265 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.409 ' O ' ' CG1' ' A' ' 80' ' ' VAL . . . -63.17 146.06 54.16 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.795 -179.524 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -88.98 -38.97 14.04 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.779 -0.368 . . . . 0.0 111.762 -179.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -149.3 151.04 33.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.434 -179.471 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.4 ' N ' ' CG2' ' A' ' 80' ' ' VAL . 71.4 t90 -54.34 134.6 45.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.05 -179.175 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -159.49 159.88 34.01 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.102 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -47.62 -31.96 5.07 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.35 -179.07 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -69.46 -39.42 77.76 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.66 178.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.5 mm -70.74 -58.13 6.08 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.356 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 -178.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.474 ' CD ' ' N ' ' A' ' 23' ' ' ASN . 1.7 tm-20 -44.53 -50.61 9.48 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 120.539 -0.464 . . . . 0.0 109.871 -178.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.474 ' N ' ' CD ' ' A' ' 22' ' ' GLU . 2.2 t30 -58.06 -49.07 78.17 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.931 -179.202 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 54.2 mt -59.59 -40.76 88.5 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.016 -0.673 . . . . 0.0 110.041 -179.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -61.27 -49.38 77.31 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.418 178.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.408 ' NH2' ' O ' ' A' ' 70' ' ' ASN . 94.6 mtt180 -61.67 -44.17 97.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.368 0.604 . . . . 0.0 110.02 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.457 ' CE2' ' C ' ' A' ' 34' ' ' ASP . 6.4 m-85 -65.64 -49.07 70.01 Favored 'General case' 0 C--N 1.321 -0.639 0 O-C-N 121.437 -0.789 . . . . 0.0 110.651 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -59.73 -45.85 90.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.48 -179.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.0 -21.33 65.95 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.559 -0.456 . . . . 0.0 109.813 179.777 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -89.06 -14.25 36.8 Favored 'General case' 0 CA--C 1.528 0.123 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.624 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 103.3 -4.84 48.41 Favored Glycine 0 CA--C 1.528 0.855 0 N-CA-C 111.325 -0.71 . . . . 0.0 111.325 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.489 ' CE2' ' O ' ' A' ' 60' ' ' GLN . 15.3 m-85 -100.16 150.6 22.34 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-O 121.022 0.439 . . . . 0.0 110.078 -179.714 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.98 -38.41 16.64 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.838 -179.336 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.457 ' C ' ' CE2' ' A' ' 27' ' ' PHE . 44.7 t0 -168.69 177.27 5.21 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.536 -179.585 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.454 ' H ' ' CG ' ' A' ' 34' ' ' ASP . 98.5 mt-10 -45.95 -32.08 2.54 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 123.555 0.534 . . . . 0.0 110.939 -179.001 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.415 HD11 HG23 ' A' ' 36' ' ' ILE . 93.2 mt -57.84 -48.75 83.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.962 -179.047 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 51.1 tp10 -68.71 -42.86 77.1 Favored 'General case' 0 CA--C 1.513 -0.447 0 C-N-CA 120.889 -0.324 . . . . 0.0 111.612 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.405 ' O ' ' CD1' ' A' ' 38' ' ' TYR . 1.7 t80 -58.64 -50.19 74.74 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 119.46 -0.896 . . . . 0.0 110.157 -178.028 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.525 ' O ' ' N ' ' A' ' 43' ' ' GLN . 57.7 mttp -59.0 -40.49 85.04 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.727 -179.22 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -62.45 -40.1 95.5 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.702 179.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.2 t -58.84 -45.95 91.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.896 -179.27 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.56 ' HZ3' ' CB ' ' A' ' 60' ' ' GLN . 43.5 mmtm -100.8 5.72 43.59 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.657 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.525 ' N ' ' O ' ' A' ' 39' ' ' LYS . 0.8 OUTLIER 46.84 53.2 10.62 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.746 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.1 m -125.24 -171.73 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.447 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -145.93 30.2 1.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.719 -179.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 4.0 mmm -159.89 128.41 4.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.001 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 80.5 t -108.34 130.19 61.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.368 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -71.34 125.48 27.1 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.953 -0.299 . . . . 0.0 110.36 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 35.4 mtt85 -138.1 170.64 15.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.365 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 69.7 m95 -99.25 142.46 24.65 Favored Pre-proline 0 CA--C 1.534 0.332 0 C-N-CA 120.218 -0.593 . . . . 0.0 110.988 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -66.66 -24.24 48.16 Favored 'Trans proline' 0 N--CA 1.497 1.704 0 C-N-CA 122.242 1.961 . . . . 0.0 112.687 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -51.73 -52.64 46.95 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.135 -177.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.591 ' OG1' ' CD2' ' A' ' 55' ' ' TYR . 23.5 p -130.96 -26.89 2.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.116 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 96.82 27.55 9.5 Favored Glycine 0 CA--C 1.523 0.555 0 C-N-CA 120.417 -0.897 . . . . 0.0 111.559 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.591 ' CD2' ' OG1' ' A' ' 53' ' ' THR . 28.0 m-85 -88.75 158.94 18.01 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.39 -0.524 . . . . 0.0 110.627 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 61.0 t -59.34 126.24 16.69 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.07 -178.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 77.2 tttt -79.46 -49.94 11.54 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.712 179.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -138.91 141.59 38.52 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.253 -179.581 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 9.3 tp -147.0 129.0 15.47 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.166 -0.613 . . . . 0.0 110.114 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.56 ' CB ' ' HZ3' ' A' ' 42' ' ' LYS . 29.6 tt0 -79.73 133.87 36.36 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.985 -179.666 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 22.1 mtm180 -76.48 168.97 19.13 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.807 -179.099 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.24 -8.0 28.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.919 179.251 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -98.2 12.49 34.44 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.153 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 63.0 m-20 65.43 37.44 6.19 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.987 0.423 . . . . 0.0 111.507 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 28.1 p -119.93 132.1 55.42 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.494 179.021 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -77.09 121.17 23.19 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 -179.476 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -120.33 116.13 24.92 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.276 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -82.36 132.35 35.22 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.044 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -99.69 156.31 17.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.678 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.509 HD22 ' CB ' ' A' ' 72' ' ' GLU . 47.4 t30 -93.63 115.79 28.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.457 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.46 -22.27 63.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.13 179.533 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.509 ' CB ' HD22 ' A' ' 70' ' ' ASN . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 CA-C-O 121.353 0.597 . . . . 0.0 109.632 179.388 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.506 ' CD ' ' N ' ' A' ' 78' ' ' LYS . 10.9 mptt . . . . . 0 C--O 1.237 0.438 0 CA-C-O 121.027 0.441 . . . . 0.0 110.659 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.515 ' O ' ' CG2' ' A' ' 83' ' ' VAL . 1.0 OUTLIER -78.39 -34.5 48.13 Favored 'General case' 0 C--O 1.216 -0.69 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.95 179.827 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.409 ' CG1' ' O ' ' A' ' 14' ' ' ALA . 62.2 t -61.32 -45.0 99.48 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 C-N-CA 119.743 -0.783 . . . . 0.0 110.933 179.517 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -63.36 -44.71 94.02 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.982 -0.554 . . . . 0.0 112.02 -178.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.0 -22.41 42.5 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 120.347 -0.541 . . . . 0.0 110.959 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.515 ' CG2' ' O ' ' A' ' 79' ' ' GLU . 79.7 t -84.71 135.98 23.71 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.836 179.682 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 56.9 pttt -110.12 151.12 27.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.89 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 46.6 t -120.69 121.56 65.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 10.3 p90 -83.46 143.0 30.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.498 -179.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 6.1 m -126.58 131.56 71.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 CA-C-O 121.086 0.469 . . . . 0.0 110.744 179.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 55.7 p90 . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.404 -179.984 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 71.1 m . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.853 0.359 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.7 mp -129.18 134.79 63.32 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.236 179.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.3 t -121.87 178.46 4.86 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.578 -179.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 90.5 mtt-85 -114.32 132.89 56.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.96 179.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.64 144.49 56.21 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.314 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.8 mmtt -96.64 -41.03 8.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.84 0.352 . . . . 0.0 111.141 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -146.57 148.8 32.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.023 0.44 . . . . 0.0 110.783 -179.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 66.5 t90 -53.69 136.25 39.7 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.012 179.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.546 ' HG ' ' H ' ' A' ' 20' ' ' GLU . 1.4 p -161.55 163.9 29.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.955 179.18 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 47.4 mp0 -51.08 -35.81 36.85 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.859 -178.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.546 ' H ' ' HG ' ' A' ' 18' ' ' SER . 79.3 mm-40 -67.94 -41.36 82.66 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.648 179.373 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 7.9 mm -71.21 -58.15 5.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 C-N-CA 120.684 -0.407 . . . . 0.0 110.054 -179.387 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.503 ' OE2' ' NH2' ' A' ' 26' ' ' ARG . 88.6 tt0 -44.04 -48.45 8.86 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -178.233 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -61.49 -48.53 80.64 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.756 179.365 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 52.3 mt -58.88 -39.31 81.04 Favored 'General case' 0 CA--C 1.514 -0.438 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.528 -179.176 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.447 ' CD1' ' C ' ' A' ' 25' ' ' TYR . 15.6 t80 -58.26 -49.69 76.22 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.09 178.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.503 ' NH2' ' OE2' ' A' ' 22' ' ' GLU . 95.7 mtt180 -62.09 -45.76 92.06 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.449 -0.5 . . . . 0.0 110.192 -179.221 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -62.84 -50.37 71.23 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.863 0.363 . . . . 0.0 110.996 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.511 ' NE2' ' O ' ' A' ' 84' ' ' LYS . 74.9 mt-30 -56.91 -40.09 75.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.816 -178.799 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 47.8 mm-40 -62.49 -40.65 97.36 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.172 178.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.53 -20.05 61.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.682 179.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 106.59 8.76 32.16 Favored Glycine 0 CA--C 1.522 0.505 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.512 ' CD1' ' OE1' ' A' ' 37' ' ' GLU . 18.9 m-85 -108.91 149.75 28.7 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.184 0.516 . . . . 0.0 110.769 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.661 ' CA ' ' HE ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -88.05 -38.07 15.76 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.78 -179.131 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.434 ' OD2' ' OH ' ' A' ' 86' ' ' TYR . 49.2 p-10 -164.85 174.14 10.93 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.944 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.4 mp0 -45.95 -35.37 4.62 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.369 -178.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 39.9 mm -52.08 -49.75 38.01 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-O 120.955 0.407 . . . . 0.0 110.643 -178.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.512 ' OE1' ' CD1' ' A' ' 32' ' ' TYR . 3.8 tm-20 -67.92 -41.57 82.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.652 -179.45 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -59.51 -47.13 86.71 Favored 'General case' 0 CA--C 1.511 -0.524 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.313 179.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.515 ' O ' ' N ' ' A' ' 43' ' ' GLN . 58.0 mttp -59.66 -41.97 91.78 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 120.411 -0.516 . . . . 0.0 111.064 -179.069 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 96.2 mm-40 -61.59 -42.77 99.34 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.323 -0.551 . . . . 0.0 110.698 -179.418 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 63.2 t -61.77 -44.79 99.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.757 0.313 . . . . 0.0 111.226 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp -94.41 2.29 55.78 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.599 -179.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.515 ' N ' ' O ' ' A' ' 39' ' ' LYS . 99.0 mt-30 45.91 51.13 10.87 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.817 179.37 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.1 m -130.68 -178.21 2.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.46 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -133.15 20.64 4.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.87 -179.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.24 137.69 15.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.689 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 16.5 t -110.83 134.73 52.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.964 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -70.17 124.76 24.92 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.547 ' NE ' ' O ' ' A' ' 54' ' ' GLY . 37.4 mtp180 -142.35 165.08 28.4 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.365 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.484 ' O ' ' N ' ' A' ' 54' ' ' GLY . 78.8 m95 -93.44 141.7 24.26 Favored Pre-proline 0 C--O 1.22 -0.459 0 C-N-CA 120.217 -0.593 . . . . 0.0 111.14 -179.423 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -66.24 -27.16 48.67 Favored 'Trans proline' 0 N--CA 1.496 1.676 0 C-N-CA 122.27 1.98 . . . . 0.0 112.764 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -53.7 -50.52 65.7 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.921 -177.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.548 ' OG1' ' CD2' ' A' ' 55' ' ' TYR . 75.5 p -127.4 -26.9 2.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.438 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.547 ' O ' ' NE ' ' A' ' 49' ' ' ARG . . . 92.79 18.84 39.2 Favored Glycine 0 C--O 1.224 -0.48 0 C-N-CA 120.051 -1.071 . . . . 0.0 111.067 -178.782 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.548 ' CD2' ' OG1' ' A' ' 53' ' ' THR . 24.6 m-85 -82.9 161.46 21.85 Favored 'General case' 0 CA--C 1.516 -0.358 0 C-N-CA 120.268 -0.573 . . . . 0.0 111.149 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.471 ' O ' ' NH1' ' A' ' 26' ' ' ARG . 41.2 t -62.45 122.48 13.32 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.487 -178.534 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -75.18 -49.93 17.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.566 179.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -142.62 144.67 32.91 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.178 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 9.0 tp -145.56 127.24 15.22 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.177 -179.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -84.58 133.01 34.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.206 -179.437 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 20.2 mtm180 -76.13 173.44 11.31 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.511 0.672 . . . . 0.0 111.083 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 25.6 mmm-85 -70.5 -8.64 52.79 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.073 179.14 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -95.81 5.57 51.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.987 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 73.49 36.77 0.76 Allowed 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.581 -0.282 . . . . 0.0 110.946 179.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 23.6 p -118.11 125.97 51.32 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.475 179.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -78.04 119.66 21.78 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.399 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 2.1 m-30 -111.67 122.91 49.07 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 121.632 0.73 . . . . 0.0 111.182 179.218 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -84.59 130.75 34.69 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 114.361 -1.29 . . . . 0.0 108.83 179.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -111.6 155.45 23.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 123.361 0.413 . . . . 0.0 110.295 -179.063 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.51 HD22 ' CB ' ' A' ' 72' ' ' GLU . 16.6 t30 -91.39 118.24 30.36 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.413 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.7 pttp -65.83 -20.8 66.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.978 179.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.51 ' CB ' HD22 ' A' ' 70' ' ' ASN . 9.0 mm-40 . . . . . 0 C--N 1.323 -0.557 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 65.2 tttm . . . . . 0 C--O 1.239 0.511 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.537 ' O ' ' N ' ' A' ' 83' ' ' VAL . 81.0 mm-40 -80.97 -28.81 35.48 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.331 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 52.8 t -57.13 -50.7 75.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 C-N-CA 120.21 -0.596 . . . . 0.0 109.441 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 70.6 m80 -64.37 -41.31 96.78 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 120.255 -0.578 . . . . 0.0 110.586 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.7 mmmt -73.25 -26.85 61.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.087 0.47 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.537 ' N ' ' O ' ' A' ' 79' ' ' GLU . 63.4 t -82.69 126.87 40.07 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 CA-C-O 121.523 0.678 . . . . 0.0 111.871 -179.391 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.511 ' O ' ' NE2' ' A' ' 28' ' ' GLN . 6.3 ptpp? -105.24 126.21 51.84 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.634 178.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 11.3 t -95.63 120.87 45.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 -178.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.434 ' OH ' ' OD2' ' A' ' 34' ' ' ASP . 9.3 p90 -79.35 147.19 32.5 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.416 -179.556 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 4.7 m -125.43 132.49 70.95 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 CA-C-O 121.085 0.469 . . . . 0.0 110.554 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 52.0 p90 . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 117.92 -1.038 . . . . 0.0 110.502 -179.851 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 70.6 m . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.856 0.36 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.3 mp -131.44 133.04 62.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.572 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.0 t -124.29 176.96 6.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.413 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.7 mpt_? -115.76 133.92 55.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.021 0.439 . . . . 0.0 110.956 -179.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.67 154.19 39.58 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.67 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -98.38 -38.46 9.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.279 -178.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -151.63 154.06 35.66 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.682 -179.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.452 ' CH2' ' OH ' ' A' ' 55' ' ' TYR . 57.4 t90 -49.49 132.8 20.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.826 -179.77 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.09 158.37 32.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.873 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -51.22 -36.49 41.84 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.325 -178.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -69.22 -42.68 75.41 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.825 0.345 . . . . 0.0 110.987 179.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.4 mm -70.42 -57.31 8.29 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.367 0 CA-C-N 116.24 -0.436 . . . . 0.0 109.946 -178.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -47.06 -46.61 22.51 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.225 -177.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.69 -50.03 75.37 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.246 0.546 . . . . 0.0 110.975 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 77.2 mt -57.59 -41.97 82.22 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 119.719 -0.792 . . . . 0.0 110.538 -178.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -59.8 -49.48 77.56 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 120.386 -0.526 . . . . 0.0 111.565 178.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.52 ' NH2' ' O ' ' A' ' 70' ' ' ASN . 93.9 mtt180 -62.82 -47.46 83.31 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.648 -0.421 . . . . 0.0 111.227 -178.746 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -65.91 -47.56 74.37 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.403 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -56.6 -41.81 77.65 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.175 -179.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -62.35 -38.78 90.84 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.271 178.179 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.89 -15.73 63.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.615 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 104.56 1.34 43.46 Favored Glycine 0 CA--C 1.528 0.851 0 N-CA-C 111.436 -0.666 . . . . 0.0 111.436 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -102.23 145.58 29.22 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-O 121.157 0.503 . . . . 0.0 110.662 -179.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.42 -35.48 60.97 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.698 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.418 ' OD2' ' OH ' ' A' ' 86' ' ' TYR . 41.7 p-10 -164.59 174.75 10.5 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.427 179.699 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -53.56 -27.53 26.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.396 -179.124 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 92.1 mt -59.53 -48.54 86.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 C-N-CA 120.481 -0.488 . . . . 0.0 110.986 -179.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 50.6 tp10 -66.38 -40.26 89.59 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.847 0.356 . . . . 0.0 110.524 -179.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -59.41 -46.97 87.21 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.226 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.548 ' O ' ' N ' ' A' ' 43' ' ' GLN . 97.9 mttt -61.15 -39.09 88.77 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.725 -179.281 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.414 ' O ' ' NE2' ' A' ' 43' ' ' GLN . 91.3 mt-30 -64.09 -42.58 96.86 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.655 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 78.1 t -62.64 -44.32 99.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.303 -179.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.516 ' HZ3' ' CD ' ' A' ' 60' ' ' GLN . 72.2 mmtt -95.43 -1.3 51.21 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.36 -179.711 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.548 ' N ' ' O ' ' A' ' 39' ' ' LYS . 93.6 mm-40 44.46 55.71 5.52 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.354 -0.539 . . . . 0.0 110.718 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 32.6 m -109.4 -168.53 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.3 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -120.48 -24.13 5.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.034 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -154.45 163.31 40.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.61 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 60.9 t -104.08 135.27 42.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.297 -0.411 . . . . 0.0 109.998 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -71.48 131.47 43.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.95 0.405 . . . . 0.0 110.671 -179.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.414 ' NE ' ' O ' ' A' ' 54' ' ' GLY . 22.3 mtp180 -142.28 170.15 16.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.484 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.487 ' O ' ' N ' ' A' ' 54' ' ' GLY . 88.0 m95 -97.92 143.86 26.99 Favored Pre-proline 0 C--O 1.22 -0.49 0 C-N-CA 120.183 -0.607 . . . . 0.0 111.972 -179.728 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -66.73 -21.19 51.82 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 121.942 1.762 . . . . 0.0 112.194 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -58.4 -54.37 47.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.263 -178.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.512 ' OG1' ' CD2' ' A' ' 55' ' ' TYR . 61.0 p -126.29 -21.23 4.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.793 179.79 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 50' ' ' TRP . . . 84.74 23.98 47.74 Favored Glycine 0 N--CA 1.463 0.476 0 C-N-CA 120.468 -0.872 . . . . 0.0 111.541 -179.665 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.512 ' CD2' ' OG1' ' A' ' 53' ' ' THR . 21.8 m-85 -90.83 160.54 15.69 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 120.209 -0.596 . . . . 0.0 110.678 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 62.0 t -56.59 123.26 7.29 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 CA-C-N 115.087 -0.96 . . . . 0.0 110.385 -178.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.417 ' CD ' ' CZ2' ' A' ' 50' ' ' TRP . 23.2 ttpp -73.28 -50.97 19.31 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.593 179.588 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -144.77 149.24 35.17 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.028 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.0 tp -146.76 137.45 23.88 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.333 -0.547 . . . . 0.0 110.187 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.516 ' CD ' ' HZ3' ' A' ' 42' ' ' LYS . 14.0 tt0 -88.86 131.1 35.25 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.497 -179.621 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.2 mtm180 -79.02 177.99 8.37 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.423 0.63 . . . . 0.0 111.267 -179.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.0 mmt180 -71.51 -11.35 60.82 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.268 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -93.9 10.44 33.29 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.102 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 60.8 m-20 65.66 34.89 7.33 Favored 'General case' 0 N--CA 1.465 0.311 0 O-C-N 123.569 0.543 . . . . 0.0 111.101 -179.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 33.9 p -118.98 130.65 55.8 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.697 179.046 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -74.66 125.2 28.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.476 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -115.35 121.33 42.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.163 -179.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -82.5 134.11 35.2 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.269 -0.423 . . . . 0.0 109.999 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -110.22 154.55 23.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.076 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.52 ' O ' ' NH2' ' A' ' 26' ' ' ARG . 61.8 t30 -80.26 117.52 21.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.539 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.445 ' HB3' ' CD1' ' A' ' 50' ' ' TRP . 1.5 pptp? -70.78 -10.78 60.24 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.467 179.74 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 . . . . . 0 CA--C 1.498 -1.042 0 C-N-CA 119.513 -0.875 . . . . 0.0 112.826 -178.188 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 64.8 pttt . . . . . 0 C--O 1.234 0.239 0 CA-C-O 121.132 0.492 . . . . 0.0 110.59 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.527 ' O ' ' N ' ' A' ' 83' ' ' VAL . 4.8 tt0 -83.59 -33.61 25.33 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.062 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 43.9 t -57.29 -50.08 77.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 C-N-CA 120.038 -0.665 . . . . 0.0 109.646 179.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -61.79 -44.2 97.35 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 120.327 -0.549 . . . . 0.0 110.747 179.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -71.93 -27.95 63.14 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.962 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.527 ' N ' ' O ' ' A' ' 79' ' ' GLU . 55.2 t -77.49 138.44 20.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.136 -179.769 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.2 ptmt -113.01 141.47 46.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.817 179.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 39.5 t -108.09 125.53 64.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.465 -179.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.539 ' O ' ' CD1' ' A' ' 86' ' ' TYR . 0.7 OUTLIER -89.48 139.64 30.32 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.597 -179.731 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 5.0 m -128.0 128.13 68.63 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 CA-C-O 121.221 0.534 . . . . 0.0 110.799 179.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 24.0 p90 . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.44 179.87 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.275 0 N-CA-C 109.479 -1.448 . . . . 0.0 109.479 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 15.6 t 46.96 -132.85 1.17 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.836 0.351 . . . . 0.0 110.578 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 63.7 t-80 -148.83 140.31 23.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.604 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -57.95 175.62 0.19 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.619 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 79.0 mtm -78.31 140.97 38.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.524 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.69 141.79 57.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.442 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 72.9 p -106.15 -21.74 13.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.622 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 85.0 p -90.21 -19.27 24.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.705 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -121.85 131.96 54.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.602 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 90.8 t -117.23 121.82 68.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.348 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -74.62 153.84 87.48 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.859 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -64.49 140.11 67.73 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.655 2.236 . . . . 0.0 112.202 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.0 tptp -80.2 -44.58 19.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.808 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 72.9 m -160.62 175.74 12.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.58 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.422 ' CD1' ' N ' ' A' ' 11' ' ' ILE . 4.5 mp -124.33 127.13 72.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.417 179.605 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.2 m -118.85 176.19 5.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.51 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.411 ' CD ' ' N ' ' A' ' 13' ' ' ARG . 1.4 mpt_? -110.0 128.3 55.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.597 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.48 142.18 57.2 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.21 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -96.36 -42.5 8.1 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-O 120.96 0.409 . . . . 0.0 110.702 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.537 ' CG ' ' N ' ' A' ' 17' ' ' TRP . 0.0 OUTLIER -132.85 -171.55 2.7 Favored 'General case' 0 C--O 1.221 -0.445 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.673 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.654 ' CD2' ' NH1' ' A' ' 73' ' ' ARG . 60.6 t90 -97.05 123.9 40.91 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.763 178.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 21' ' ' ILE . 37.9 t -154.51 154.16 32.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.521 179.645 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 -42.97 -30.64 0.43 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.407 -179.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -68.88 -41.37 78.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.713 179.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.447 ' N ' ' O ' ' A' ' 18' ' ' SER . 20.1 mm -77.18 -62.28 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.24 -179.469 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.548 ' OE1' ' CE1' ' A' ' 55' ' ' TYR . 39.5 tt0 -43.45 -46.88 6.95 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 -179.05 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -60.48 -50.8 72.12 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.905 179.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 39.4 mt -54.89 -39.18 68.46 Favored 'General case' 0 C--O 1.215 -0.723 0 C-N-CA 121.036 -0.266 . . . . 0.0 110.733 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.405 ' CD2' ' SG ' ' A' ' 75' ' ' CYS . 28.1 t80 -59.07 -49.56 77.4 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.706 0.289 . . . . 0.0 110.492 178.494 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 92.6 mtt180 -61.05 -49.86 75.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.804 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -63.99 -49.86 70.81 Favored 'General case' 0 CA--C 1.523 -0.065 0 CA-C-O 120.903 0.383 . . . . 0.0 110.891 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -53.65 -42.1 67.48 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.304 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.422 ' O ' ' NH2' ' A' ' 61' ' ' ARG . 62.2 mm-40 -59.67 -41.24 90.19 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.845 179.205 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.69 -16.41 64.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.407 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 104.68 7.79 38.56 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.486 -0.646 . . . . 0.0 111.486 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -105.3 146.44 29.34 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 120.993 0.425 . . . . 0.0 110.662 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.79 -35.43 33.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.378 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 51.5 p-10 -161.81 169.8 20.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.536 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.527 ' CD ' ' H ' ' A' ' 35' ' ' GLU . 10.8 mp0 -48.23 -34.52 10.35 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.322 -179.084 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 48.4 mm -55.01 -49.33 72.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.104 -178.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 46.8 tp10 -63.91 -39.05 93.28 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.959 0.409 . . . . 0.0 110.83 179.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 31.7 t80 -62.47 -47.41 84.13 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.497 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.548 ' O ' ' N ' ' A' ' 43' ' ' GLN . 98.6 mttt -59.05 -40.97 86.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.105 -178.317 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -61.77 -40.13 94.09 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.859 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 77.4 t -61.24 -45.03 99.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.955 -179.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.499 ' HZ1' ' CD ' ' A' ' 60' ' ' GLN . 9.3 mmtm -99.63 4.09 45.53 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.94 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.548 ' N ' ' O ' ' A' ' 39' ' ' LYS . 21.3 mp0 46.06 55.41 7.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.945 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 29.8 m -126.02 -172.64 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.597 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -135.33 -34.49 0.85 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.9 mmt -104.99 133.9 48.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.122 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.7 t -107.51 137.13 40.21 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.082 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -62.73 119.59 9.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.958 0.409 . . . . 0.0 110.779 -179.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 93.8 mtt-85 -140.7 158.57 43.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.672 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.466 ' O ' ' HA2' ' A' ' 54' ' ' GLY . 77.5 m95 -94.91 141.06 22.78 Favored Pre-proline 0 N--CA 1.45 -0.429 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.787 179.603 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.22 -31.48 44.36 Favored 'Trans proline' 0 C--N 1.303 -1.862 0 C-N-CA 122.691 2.261 . . . . 0.0 112.226 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -50.43 -52.33 38.68 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.811 -178.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.534 ' OG1' ' CD2' ' A' ' 55' ' ' TYR . 31.3 p -126.62 -33.78 2.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.218 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.466 ' HA2' ' O ' ' A' ' 50' ' ' TRP . . . 100.53 20.79 14.04 Favored Glycine 0 CA--C 1.519 0.308 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.336 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.548 ' CE1' ' OE1' ' A' ' 22' ' ' GLU . 31.4 m-85 -80.58 157.56 26.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.576 0.227 . . . . 0.0 110.578 179.656 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 40.2 t -67.63 127.98 30.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.864 0.364 . . . . 0.0 110.568 -179.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 50.9 tttm -72.29 -44.39 62.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.539 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -156.38 153.17 28.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.569 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -146.87 131.14 17.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.951 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.499 ' CD ' ' HZ1' ' A' ' 42' ' ' LYS . 11.4 tt0 -78.87 130.01 35.19 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.122 179.711 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.422 ' NH2' ' O ' ' A' ' 29' ' ' GLN . 46.9 mtp180 -78.88 174.76 11.17 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.031 -178.714 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 11.3 ttm180 -67.48 -16.84 64.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 123.836 0.71 . . . . 0.0 110.504 179.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -87.06 2.79 48.54 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.592 -178.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 73.59 37.37 0.7 Allowed 'General case' 0 N--CA 1.451 -0.408 0 CA-C-O 120.67 0.272 . . . . 0.0 110.984 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 44.8 p -123.98 133.11 53.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.609 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -77.74 123.38 26.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.504 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -114.83 121.07 42.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.437 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -81.85 135.31 35.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.373 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -110.94 152.42 26.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.758 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.506 HD22 ' CB ' ' A' ' 72' ' ' GLU . 14.5 t30 -94.82 110.27 22.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.81 179.749 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.9 pttp -60.29 -26.19 66.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.188 0.518 . . . . 0.0 110.632 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.831 ' O ' ' O ' ' A' ' 73' ' ' ARG . 13.1 mm-40 -73.88 65.05 1.02 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.492 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.831 ' O ' ' O ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER 34.81 124.3 0.0 OUTLIER 'General case' 0 N--CA 1.441 -0.901 0 CA-C-O 121.066 0.46 . . . . 0.0 110.334 -179.437 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.421 ' O ' ' OE1' ' A' ' 76' ' ' GLU . 37.0 tt0 -124.12 -24.11 4.43 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.206 178.577 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . 0.536 ' O ' ' CZ ' ' A' ' 73' ' ' ARG . 34.2 m -80.51 131.14 35.51 Favored 'General case' 0 C--O 1.212 -0.902 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.393 -179.6 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.421 ' OE1' ' O ' ' A' ' 74' ' ' GLU . 36.6 mp0 -113.57 166.0 11.95 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.634 179.585 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -48.31 -34.64 10.85 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.031 -179.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -63.76 -29.46 70.67 Favored 'General case' 0 C--O 1.242 0.685 0 CA-C-O 121.699 0.761 . . . . 0.0 110.371 179.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.552 ' O ' ' N ' ' A' ' 83' ' ' VAL . 0.9 OUTLIER -82.63 -32.14 28.44 Favored 'General case' 0 C--O 1.222 -0.371 0 O-C-N 121.858 -0.526 . . . . 0.0 110.501 179.574 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 54.6 t -54.29 -49.37 64.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 179.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 73.2 m80 -68.0 -40.65 82.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.922 0.391 . . . . 0.0 110.68 -179.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.83 -22.95 58.41 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.149 179.575 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.552 ' N ' ' O ' ' A' ' 79' ' ' GLU . 71.7 t -88.34 136.15 23.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.02 0.438 . . . . 0.0 111.349 -178.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 30.6 mtmm -101.11 164.83 11.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.345 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 15.2 t -125.5 127.99 72.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.942 0.401 . . . . 0.0 110.122 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -91.24 137.66 32.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.701 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 4.3 m -122.2 134.42 65.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.712 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 48.6 p90 . . . . . 0 C--O 1.221 -0.415 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.551 179.803 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.251 0 N-CA-C 109.572 -1.411 . . . . 0.0 109.572 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 42.6 t -139.09 125.06 19.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.748 0.308 . . . . 0.0 110.602 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 44.7 m80 -128.42 119.82 25.71 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.798 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 44.4 mtt -140.26 132.72 28.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.581 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.6 mmm -85.8 135.21 33.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.474 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.44 140.9 58.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.599 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.422 ' C ' ' N ' ' A' ' 5' ' ' ASP . 70.7 p -76.5 -70.84 0.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.57 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 47.6 m 48.95 15.83 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.413 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.422 ' N ' ' C ' ' A' ' 3' ' ' THR . 97.3 m-20 -72.88 150.23 42.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.639 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 86.4 t -98.77 118.6 45.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.276 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -117.48 149.28 44.52 Favored Pre-proline 0 CA--C 1.531 0.22 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.59 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -66.09 149.04 86.03 Favored 'Trans proline' 0 C--N 1.308 -1.576 0 C-N-CA 122.737 2.291 . . . . 0.0 112.319 179.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.447 ' O ' ' OG ' ' A' ' 10' ' ' SER . 7.6 mtmp? -97.54 -29.04 13.68 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.639 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.447 ' OG ' ' O ' ' A' ' 9' ' ' LYS . 74.9 m -169.69 177.82 4.36 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.543 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.7 mp -137.44 134.09 46.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.677 179.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.3 t -120.38 177.21 5.12 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.505 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -114.33 131.26 56.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.093 0.473 . . . . 0.0 110.536 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.79 153.12 40.88 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.73 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.9 mptt -95.44 -40.33 9.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.299 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -146.22 149.29 33.63 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.676 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.423 ' N ' ' CG2' ' A' ' 80' ' ' VAL . 53.3 t90 -53.73 139.2 33.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.992 -179.257 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.1 t -165.22 160.76 18.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.294 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -46.77 -33.31 4.28 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.539 -179.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -67.33 -45.89 75.07 Favored 'General case' 0 C--O 1.219 -0.545 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.67 179.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.421 HD11 ' N ' ' A' ' 21' ' ' ILE . 3.2 mm -66.44 -56.91 12.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 -178.633 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.461 ' CD ' ' N ' ' A' ' 23' ' ' ASN . 1.8 tm-20 -39.33 -47.86 1.79 Allowed 'General case' 0 CA--C 1.513 -0.456 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.941 -179.395 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.461 ' N ' ' CD ' ' A' ' 22' ' ' GLU . 1.0 OUTLIER -59.86 -50.11 75.09 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.328 0.585 . . . . 0.0 111.084 -179.878 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.401 HD22 ' N ' ' A' ' 24' ' ' LEU . 3.8 mm? -53.99 -48.75 70.07 Favored 'General case' 0 C--O 1.213 -0.828 0 C-N-CA 120.474 -0.49 . . . . 0.0 110.86 -178.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -59.24 -48.89 79.93 Favored 'General case' 0 C--N 1.317 -0.845 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.306 179.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.522 ' NH2' ' O ' ' A' ' 70' ' ' ASN . 88.7 mtt180 -60.57 -48.38 82.05 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.644 -0.422 . . . . 0.0 111.146 -179.117 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.403 ' CE1' ' OD1' ' A' ' 23' ' ' ASN . 38.8 m-85 -66.91 -44.36 80.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.018 0.437 . . . . 0.0 110.426 179.586 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.475 ' NE2' ' O ' ' A' ' 84' ' ' LYS . 60.9 mt-30 -55.85 -41.35 74.19 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.582 179.72 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -64.1 -37.76 88.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.203 178.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.93 -16.79 64.56 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.429 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 102.83 8.72 41.83 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -109.68 146.94 33.99 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-O 121.009 0.433 . . . . 0.0 110.869 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.28 -35.67 61.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.245 179.608 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.536 ' CG ' ' N ' ' A' ' 35' ' ' GLU . 5.3 t70 -163.29 171.12 16.61 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.385 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.536 ' N ' ' CG ' ' A' ' 34' ' ' ASP . 8.7 pt-20 -50.63 -28.48 8.9 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.554 -179.633 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 83.6 mt -59.01 -48.98 84.88 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 C-N-CA 120.713 -0.395 . . . . 0.0 111.14 -179.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -66.45 -39.38 88.84 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.664 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 36.2 t80 -59.47 -47.57 84.98 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.389 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.463 ' O ' ' N ' ' A' ' 43' ' ' GLN . 44.2 mtmt -60.56 -40.01 90.08 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.97 -179.607 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -62.92 -41.66 99.54 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.862 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 78.7 t -63.7 -44.62 98.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.106 -179.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.2 mmtp -91.57 -1.13 57.6 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.782 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 39' ' ' LYS . 97.9 mt-30 50.6 48.63 22.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.77 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 28.2 m -127.59 -174.24 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.399 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -141.42 23.44 2.15 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.778 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 4.4 mtp -158.58 139.82 13.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.816 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.0 t -111.94 135.26 51.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -67.29 118.58 10.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.476 -179.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 31.3 mtt180 -137.04 166.08 24.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.573 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.509 ' O ' ' N ' ' A' ' 54' ' ' GLY . 71.8 m95 -95.85 140.61 22.38 Favored Pre-proline 0 C--O 1.218 -0.553 0 C-N-CA 120.288 -0.565 . . . . 0.0 111.101 -179.569 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -65.71 -30.52 50.44 Favored 'Trans proline' 0 C--N 1.302 -1.914 0 C-N-CA 122.446 2.098 . . . . 0.0 112.697 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.492 ' OE1' ' CE ' ' A' ' 71' ' ' LYS . 96.3 mt-10 -52.59 -49.68 64.56 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.681 -178.221 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.514 ' OG1' ' CD2' ' A' ' 55' ' ' TYR . 71.3 p -125.2 -31.04 3.11 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.961 -0.296 . . . . 0.0 111.036 179.557 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 50' ' ' TRP . . . 94.95 18.87 32.89 Favored Glycine 0 N--CA 1.464 0.534 0 C-N-CA 120.669 -0.776 . . . . 0.0 111.335 -179.67 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.514 ' CD2' ' OG1' ' A' ' 53' ' ' THR . 25.0 m-85 -81.4 158.36 24.66 Favored 'General case' 0 CA--C 1.515 -0.373 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.981 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.515 ' O ' ' NH1' ' A' ' 26' ' ' ARG . 87.2 t -61.59 122.48 12.32 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.681 -178.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 44.5 tttm -72.96 -45.38 58.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.556 179.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -151.79 153.04 33.5 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.596 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -146.07 138.04 25.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.779 179.577 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -85.21 132.64 34.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.952 0.406 . . . . 0.0 110.494 179.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.1 mmm180 -76.42 166.32 23.58 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.789 -179.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 10.1 mtt-85 -66.26 -7.1 16.39 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.235 179.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.438 ' O ' ' CB ' ' A' ' 64' ' ' ASN . 98.0 m-20 -101.87 8.35 41.27 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.17 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.438 ' CB ' ' O ' ' A' ' 63' ' ' ASP . 2.1 m-20 79.76 -2.95 2.06 Favored 'General case' 0 C--O 1.233 0.228 0 O-C-N 123.284 0.365 . . . . 0.0 110.679 179.506 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 24.3 p -80.86 126.68 31.64 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.57 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -71.97 131.14 42.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.528 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -119.93 116.64 26.2 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.01 0.433 . . . . 0.0 110.259 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -82.42 139.34 34.07 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.485 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -114.22 150.95 33.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.982 179.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.522 ' O ' ' NH2' ' A' ' 26' ' ' ARG . 5.0 p-10 -98.17 124.2 42.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.596 179.595 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.492 ' CE ' ' OE1' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -64.3 -17.36 63.58 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.379 0.609 . . . . 0.0 110.627 179.423 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 73' ' ' ARG . 94.2 mt-10 -81.84 57.71 3.55 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -34.28 130.98 0.33 Allowed 'General case' 0 N--CA 1.456 -0.125 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.305 -179.371 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -130.89 39.46 3.59 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 121.469 0.652 . . . . 0.0 109.758 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 6.1 t -88.97 146.34 24.95 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.238 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -130.26 174.02 10.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.575 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.496 ' O ' ' ND1' ' A' ' 81' ' ' HIS . 97.9 m-20 -50.81 -23.61 2.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.299 -179.291 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.9 mmmt -63.25 -38.05 89.66 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.678 179.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 83' ' ' VAL . 5.5 mm-40 -80.41 -30.94 37.72 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.968 -0.293 . . . . 0.0 110.478 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.423 ' CG2' ' N ' ' A' ' 17' ' ' TRP . 55.5 t -58.35 -41.83 82.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 179.203 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.496 ' ND1' ' O ' ' A' ' 77' ' ' ASP . 77.9 m80 -69.34 -40.99 77.21 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.436 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 30.9 mttm -76.21 -27.6 56.9 Favored 'General case' 0 CA--C 1.528 0.127 0 CA-C-O 120.863 0.363 . . . . 0.0 110.798 179.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.476 ' N ' ' O ' ' A' ' 79' ' ' GLU . 73.8 t -88.45 135.61 25.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.786 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.475 ' O ' ' NE2' ' A' ' 28' ' ' GLN . 14.0 mttp -113.08 157.55 21.45 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.295 -179.692 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 60.4 t -119.17 122.51 69.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.43 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.585 ' CD1' ' O ' ' A' ' 86' ' ' TYR . 0.2 OUTLIER -78.83 148.56 32.8 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.675 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.0 m -128.62 125.82 64.19 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.461 179.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 22.0 p90 . . . . . 0 C--O 1.221 -0.412 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.605 179.783 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . 0.535 ' O ' ' ND1' ' A' ' -1' ' ' HIS . . . . . . . . 0 N--CA 1.49 2.261 0 N-CA-C 109.479 -1.448 . . . . 0.0 109.479 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 70.56 2.31 4.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.802 0.334 . . . . 0.0 110.555 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . 0.535 ' ND1' ' O ' ' A' ' -3' ' ' GLY . 79.8 m80 -102.68 9.26 39.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.501 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -171.99 100.85 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.526 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.1 mmm -125.67 143.81 50.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.505 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.34 148.24 51.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.57 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 62.8 p -130.55 163.56 26.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.479 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 98.5 p -137.98 153.13 49.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.37 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -150.17 110.8 4.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.648 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 88.9 t -79.2 121.41 32.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.652 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.446 ' N ' ' CD ' ' A' ' 7' ' ' LYS . 3.8 mptp? -79.55 154.18 76.25 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.733 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -65.45 157.81 56.16 Favored 'Trans proline' 0 C--N 1.307 -1.627 0 C-N-CA 122.605 2.203 . . . . 0.0 112.228 179.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.76 -39.76 9.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.083 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 55.6 m -160.48 167.37 27.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.632 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.6 mp -131.57 133.58 61.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.414 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.6 t -123.91 178.77 5.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.547 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -116.7 131.14 57.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.603 179.761 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.57 150.22 47.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.724 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt -92.63 -39.85 11.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.383 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.0 tttp -135.06 -172.14 2.98 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.736 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.527 ' CD1' ' SG ' ' A' ' 75' ' ' CYS . 63.2 t90 -96.37 124.52 40.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.704 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.492 ' O ' ' N ' ' A' ' 21' ' ' ILE . 52.8 m -148.78 152.6 36.82 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.677 179.488 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -42.74 -26.33 0.12 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.969 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.419 ' N ' ' C ' ' A' ' 18' ' ' SER . 98.1 mt-10 -69.86 -40.89 75.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.472 179.317 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.492 ' N ' ' O ' ' A' ' 18' ' ' SER . 6.8 mm -71.85 -59.26 3.59 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.37 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.067 -179.57 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.536 ' OE1' ' N ' ' A' ' 23' ' ' ASN . 3.1 tm-20 -45.1 -47.18 12.06 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.199 -178.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.536 ' N ' ' OE1' ' A' ' 22' ' ' GLU . 1.0 OUTLIER -60.0 -51.36 69.98 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.284 -179.702 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 75.9 mt -56.87 -40.04 75.45 Favored 'General case' 0 CA--C 1.51 -0.566 0 C-N-CA 120.332 -0.547 . . . . 0.0 110.488 -178.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -60.98 -49.11 78.78 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.561 178.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.407 ' NH2' ' O ' ' A' ' 70' ' ' ASN . 93.5 mtt180 -60.95 -47.51 86.12 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.955 -179.281 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -65.43 -47.18 77.09 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.486 179.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -55.7 -40.42 72.36 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.819 -179.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -60.8 -40.0 91.03 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.866 0.365 . . . . 0.0 110.024 178.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.86 -17.32 64.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.347 179.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 104.25 6.68 41.71 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -104.91 146.18 29.38 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 120.89 0.376 . . . . 0.0 111.135 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.8 -35.24 57.76 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.453 179.555 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -164.79 172.15 13.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.535 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -49.98 -31.34 12.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.627 -178.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 88.7 mt -56.97 -49.55 78.89 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 C-N-CA 120.548 -0.461 . . . . 0.0 111.007 -178.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -64.84 -39.84 94.21 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.994 0.426 . . . . 0.0 110.444 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -59.93 -45.88 91.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.084 179.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.567 ' O ' ' N ' ' A' ' 43' ' ' GLN . 60.4 mttp -58.72 -39.72 81.64 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.031 -179.162 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.536 ' O ' ' NE2' ' A' ' 43' ' ' GLN . 62.9 tt0 -60.88 -43.21 98.75 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.55 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 79.7 t -62.1 -43.71 98.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.121 -179.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -95.15 -0.63 53.14 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.763 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.567 ' N ' ' O ' ' A' ' 39' ' ' LYS . 83.0 mm-40 48.33 52.08 14.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.943 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 31.5 m -127.38 -175.17 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.532 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -137.21 26.6 2.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.957 -179.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 19.5 ptm -162.45 152.23 16.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.773 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 15.9 t -125.07 134.52 66.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.012 179.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -60.05 129.23 40.76 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.672 -179.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -144.61 157.28 44.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.992 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 69.8 m95 -95.81 141.45 23.19 Favored Pre-proline 0 C--O 1.22 -0.475 0 C-N-CA 120.046 -0.662 . . . . 0.0 111.24 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -65.83 -27.84 51.37 Favored 'Trans proline' 0 C--N 1.302 -1.872 0 C-N-CA 122.37 2.047 . . . . 0.0 112.557 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -53.46 -52.94 57.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.705 -178.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.569 ' OG1' ' CD2' ' A' ' 55' ' ' TYR . 30.3 p -127.2 -31.99 2.52 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.526 -0.307 . . . . 0.0 110.974 179.721 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 99.84 21.28 14.38 Favored Glycine 0 N--CA 1.464 0.541 0 C-N-CA 120.578 -0.82 . . . . 0.0 111.279 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.569 ' CD2' ' OG1' ' A' ' 53' ' ' THR . 28.6 m-85 -81.17 155.21 26.3 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.552 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 94.2 t -61.69 127.29 21.25 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.157 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.495 -179.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 50.5 tttm -73.65 -47.16 42.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.872 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -154.38 151.64 29.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.709 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -147.28 130.46 16.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.82 179.387 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -78.34 135.07 37.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.003 0.43 . . . . 0.0 110.671 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -76.82 171.68 14.34 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.959 -179.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.4 -6.66 31.48 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.249 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -100.15 10.64 40.94 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.087 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 69.81 37.98 1.72 Allowed 'General case' 0 N--CA 1.455 -0.184 0 CA-C-O 120.587 0.232 . . . . 0.0 111.135 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 35.8 p -120.64 128.78 53.32 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.395 179.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -75.46 124.09 26.56 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.798 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -118.15 123.98 46.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.3 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -92.94 132.7 36.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.485 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -105.33 155.67 18.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.913 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.407 ' O ' ' NH2' ' A' ' 26' ' ' ARG . 2.7 p30 -97.05 126.91 42.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.349 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.6 pttt -69.07 -21.51 64.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.376 0.608 . . . . 0.0 110.668 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 73' ' ' ARG . 97.9 mt-10 -75.59 56.86 0.92 Allowed 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.158 -179.564 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.469 ' HE ' ' HB2' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -35.7 133.77 0.38 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.05 -179.497 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -139.74 40.67 2.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.115 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . 0.527 ' SG ' ' CD1' ' A' ' 17' ' ' TRP . 0.0 OUTLIER -88.32 152.11 22.16 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.084 179.529 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.494 ' N ' ' SG ' ' A' ' 75' ' ' CYS . 97.9 mt-10 -133.09 174.34 10.47 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.621 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.435 ' OD2' ' NE2' ' A' ' 81' ' ' HIS . 30.2 t70 -46.04 -22.68 0.23 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.37 -179.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.33 -36.82 85.21 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.019 178.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.524 ' O ' ' CG2' ' A' ' 83' ' ' VAL . 8.3 mm-40 -80.56 -35.86 33.8 Favored 'General case' 0 C--O 1.218 -0.557 0 CA-C-O 121.204 0.526 . . . . 0.0 110.742 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 89.7 t -59.26 -42.23 86.46 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 C-N-CA 120.145 -0.622 . . . . 0.0 110.3 -179.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.435 ' NE2' ' OD2' ' A' ' 77' ' ' ASP . 77.7 m-70 -70.37 -42.34 71.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.971 -0.558 . . . . 0.0 112.409 -178.472 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.82 -19.15 52.78 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.33 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.524 ' CG2' ' O ' ' A' ' 79' ' ' GLU . 59.7 t -83.97 135.68 24.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.112 179.565 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 58.2 pttt -107.55 156.43 19.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.223 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 20.7 t -125.97 125.09 67.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.88 0.371 . . . . 0.0 110.147 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.574 ' O ' ' CD1' ' A' ' 86' ' ' TYR . 0.3 OUTLIER -90.27 145.58 24.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.774 -179.812 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.2 m -129.37 124.74 60.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.975 0.417 . . . . 0.0 110.759 179.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 51.8 p90 . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.951 -1.023 . . . . 0.0 110.417 179.828 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.39 0 N-CA-C 109.427 -1.469 . . . . 0.0 109.427 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 42.3 t -122.72 94.67 4.35 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.888 0.375 . . . . 0.0 110.546 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 60.3 t-80 -60.94 -45.17 95.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.54 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 1.2 ttt -160.15 97.56 1.26 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.545 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.2 tpt -124.43 125.94 45.1 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.388 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -73.12 152.26 41.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.675 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 65.03 21.51 12.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.697 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.03 -41.44 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.49 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -84.31 110.49 18.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.545 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 86.8 t -105.48 128.26 59.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.342 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.6 pttp -99.75 150.59 36.95 Favored Pre-proline 0 N--CA 1.451 -0.381 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.745 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -67.89 162.65 38.77 Favored 'Trans proline' 0 C--N 1.307 -1.607 0 C-N-CA 122.881 2.387 . . . . 0.0 112.449 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.6 mmtp -102.59 -35.39 8.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.48 -179.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 74.7 m -157.73 163.43 38.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.679 179.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.4 mp -129.06 133.89 65.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.734 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.721 ' HG ' ' H ' ' A' ' 13' ' ' ARG . 33.2 t -125.39 178.25 5.72 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.528 -179.629 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.721 ' H ' ' HG ' ' A' ' 12' ' ' SER . 26.3 mmt180 -117.63 133.05 56.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.64 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.09 148.79 51.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.656 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.3 mtpp -117.93 14.26 14.15 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.504 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.494 ' N ' HG12 ' A' ' 80' ' ' VAL . 20.3 ttmt -169.53 165.76 10.27 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.761 179.19 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.477 ' C ' ' HG ' ' A' ' 18' ' ' SER . 59.3 t90 -95.66 123.45 39.22 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.838 0.351 . . . . 0.0 111.341 179.596 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.477 ' HG ' ' C ' ' A' ' 17' ' ' TRP . 50.8 m -154.18 155.62 35.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.65 179.416 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -44.12 -28.04 0.45 Allowed 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -69.75 -45.62 67.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.939 0.4 . . . . 0.0 110.719 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 21.3 mm -74.38 -61.91 1.52 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.275 0 C-N-CA 120.496 -0.481 . . . . 0.0 109.967 -179.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.501 ' CD ' ' NE ' ' A' ' 73' ' ' ARG . 31.6 tp10 -44.59 -47.54 10.34 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-O 120.926 0.393 . . . . 0.0 110.178 -178.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.71 -49.64 74.55 Favored 'General case' 0 C--N 1.317 -0.806 0 C-N-CA 120.412 -0.515 . . . . 0.0 110.691 -179.585 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 47.3 mt -54.58 -39.56 67.91 Favored 'General case' 0 C--O 1.212 -0.885 0 C-N-CA 120.561 -0.455 . . . . 0.0 110.564 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 78.1 t80 -61.31 -47.76 84.44 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 120.716 0.293 . . . . 0.0 110.394 178.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.456 ' O ' ' HG3' ' A' ' 29' ' ' GLN . 66.6 mtt180 -60.58 -48.5 81.5 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-O 121.238 0.542 . . . . 0.0 110.46 -179.026 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -67.74 -45.19 75.72 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.187 0.518 . . . . 0.0 110.714 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -57.61 -46.38 84.16 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.405 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.461 ' CG ' ' OH ' ' A' ' 69' ' ' TYR . 0.0 OUTLIER -65.22 -20.6 66.51 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.836 0.35 . . . . 0.0 110.74 -179.837 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.66 -12.58 53.62 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.104 -179.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 101.67 0.81 52.77 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.421 -0.672 . . . . 0.0 111.421 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.509 ' CD2' ' OE2' ' A' ' 37' ' ' GLU . 23.9 m-85 -103.49 147.26 27.37 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 120.971 0.415 . . . . 0.0 110.326 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.44 -37.84 42.71 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.937 179.115 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.439 ' OD2' ' OH ' ' A' ' 86' ' ' TYR . 26.3 p-10 -163.3 171.45 16.12 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.5 179.449 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -48.15 -29.91 4.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.515 -179.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 93.6 mt -56.45 -50.08 74.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 C-N-CA 120.627 -0.429 . . . . 0.0 111.095 -178.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.509 ' OE2' ' CD2' ' A' ' 32' ' ' TYR . 10.6 tt0 -65.03 -39.09 92.85 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.99 0.424 . . . . 0.0 110.639 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -60.51 -45.21 94.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.886 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.555 ' O ' ' N ' ' A' ' 43' ' ' GLN . 2.9 mtpm? -61.52 -39.81 92.36 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.08 -179.341 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -60.52 -46.28 90.72 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.743 -0.383 . . . . 0.0 111.188 -179.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 51.5 t -64.25 -41.26 91.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.436 179.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.4 mmtp -89.27 -5.09 57.87 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.102 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.555 ' N ' ' O ' ' A' ' 39' ' ' LYS . 66.6 mt-30 50.26 48.29 22.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.774 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 28.6 m -128.92 -173.92 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.51 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -139.46 18.81 2.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.728 -179.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.92 151.98 24.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.647 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 17.1 t -124.5 135.53 63.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.09 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -66.76 131.23 45.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.746 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 55.0 mtt180 -140.97 167.13 22.92 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.568 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.455 ' O ' ' N ' ' A' ' 54' ' ' GLY . 70.2 m95 -96.95 139.69 21.69 Favored Pre-proline 0 C--O 1.219 -0.501 0 C-N-CA 120.373 -0.531 . . . . 0.0 111.133 -179.655 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -65.06 -28.37 57.23 Favored 'Trans proline' 0 C--N 1.302 -1.904 0 C-N-CA 122.68 2.254 . . . . 0.0 112.393 -179.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -51.22 -52.92 40.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.746 -178.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.568 ' OG1' ' CD2' ' A' ' 55' ' ' TYR . 33.7 p -126.9 -28.64 2.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.842 0.353 . . . . 0.0 110.883 179.425 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 50' ' ' TRP . . . 94.61 23.49 21.06 Favored Glycine 0 N--CA 1.462 0.383 0 C-N-CA 120.666 -0.778 . . . . 0.0 111.326 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.568 ' CD2' ' OG1' ' A' ' 53' ' ' THR . 24.9 m-85 -80.58 161.55 24.7 Favored 'General case' 0 CA--C 1.516 -0.353 0 C-N-CA 121.061 -0.256 . . . . 0.0 110.836 179.747 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 89.5 t -60.38 124.62 15.08 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.231 -179.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 47.4 tttm -77.95 -48.93 15.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.134 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 58.4 pttt -142.72 144.87 32.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.244 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.1 tp -146.87 122.23 10.29 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.097 0.475 . . . . 0.0 110.667 179.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -80.54 134.07 35.89 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.362 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.7 mtm180 -74.84 169.57 17.65 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.746 -178.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 -69.39 -5.99 27.16 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.29 178.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -100.19 11.49 39.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.784 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 39.7 m-20 66.13 36.69 5.49 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 123.476 0.485 . . . . 0.0 111.126 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 20.0 p -117.06 126.44 52.86 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.242 178.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -70.03 122.1 18.72 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.633 -179.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -123.53 113.14 18.33 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.024 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -82.94 137.81 34.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.769 -179.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.461 ' OH ' ' CG ' ' A' ' 29' ' ' GLN . 45.6 m-85 -106.03 153.82 21.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.382 179.337 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -97.11 137.31 36.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.797 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.7 pttm -78.67 -26.5 45.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.312 0.577 . . . . 0.0 110.524 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.453 ' O ' ' C ' ' A' ' 73' ' ' ARG . 78.4 mm-40 -72.54 52.85 0.29 Allowed 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 179.34 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.501 ' NE ' ' CD ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -30.31 128.72 0.12 Allowed 'General case' 0 C--N 1.333 -0.144 0 O-C-N 123.742 0.651 . . . . 0.0 111.712 -179.672 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -126.34 37.13 4.38 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 33.9 t -86.18 142.22 28.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.524 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -128.08 173.22 10.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.497 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -50.34 -23.44 2.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.28 -179.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -62.35 -36.25 81.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.954 0.407 . . . . 0.0 110.815 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.401 ' O ' ' CG2' ' A' ' 83' ' ' VAL . 6.9 mt-10 -82.99 -31.83 27.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.955 0.407 . . . . 0.0 110.442 179.748 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.494 HG12 ' N ' ' A' ' 16' ' ' LYS . 58.6 t -56.27 -47.68 80.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 C-N-CA 120.433 -0.507 . . . . 0.0 110.234 -179.562 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 60.4 t-80 -71.11 -41.55 70.41 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.045 -179.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.91 -25.29 63.61 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.992 179.719 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.401 ' CG2' ' O ' ' A' ' 79' ' ' GLU . 77.2 t -86.15 137.28 21.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.644 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 46.8 pttt -106.82 159.3 16.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.315 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.6 t -125.3 112.82 32.71 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.345 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.439 ' OH ' ' OD2' ' A' ' 34' ' ' ASP . 3.2 p90 -82.02 141.74 32.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.362 -179.702 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.7 m -127.58 122.85 60.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 121.136 0.493 . . . . 0.0 110.728 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 46.9 p90 . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.936 -1.03 . . . . 0.0 110.47 179.836 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.395 0 N-CA-C 109.424 -1.47 . . . . 0.0 109.424 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 75.4 m -60.99 -39.93 91.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.87 0.367 . . . . 0.0 110.456 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 61.8 t-80 -88.53 114.98 25.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.522 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -156.34 51.16 0.52 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.678 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.9 ptm -152.5 148.81 27.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.733 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -77.1 139.91 40.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.527 179.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 66.9 p -105.44 -12.09 16.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.538 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 73.1 m -75.78 149.02 38.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.702 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 36.1 t0 -99.81 176.02 5.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.543 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 84.4 t -104.85 119.43 53.82 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.382 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 58.8 pttt -89.53 149.88 43.28 Favored Pre-proline 0 N--CA 1.451 -0.396 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.862 -179.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -67.67 158.53 56.78 Favored 'Trans proline' 0 N--CA 1.494 1.519 0 C-N-CA 122.719 2.279 . . . . 0.0 112.333 179.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.9 mmmt -92.7 -42.31 9.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.806 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 70.0 m -157.24 163.89 38.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.664 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.5 mp -129.0 131.12 68.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.591 179.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.641 ' HG ' ' H ' ' A' ' 13' ' ' ARG . 44.0 t -119.08 176.17 5.43 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.446 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.641 ' H ' ' HG ' ' A' ' 12' ' ' SER . 1.3 mpt_? -111.33 129.83 55.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.709 -179.565 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.52 144.72 53.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.414 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.4 mptt -99.85 -41.68 7.14 Favored 'General case' 0 CA--C 1.523 -0.094 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.846 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.1 tttp -132.27 -173.7 3.23 Favored 'General case' 0 C--O 1.227 -0.107 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.011 179.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.654 ' CE2' ' NE ' ' A' ' 73' ' ' ARG . 35.1 t90 -98.25 130.38 44.96 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.899 179.733 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.403 ' O ' ' N ' ' A' ' 21' ' ' ILE . 83.5 p -160.74 159.57 30.29 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.286 178.73 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -43.07 -31.45 0.55 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.537 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -69.26 -43.6 73.61 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.837 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.403 ' N ' ' O ' ' A' ' 18' ' ' SER . 11.8 mm -77.49 -61.43 1.71 Allowed 'Isoleucine or valine' 0 CA--C 1.519 -0.227 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.274 -179.538 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.414 ' HB2' ' NE1' ' A' ' 17' ' ' TRP . 88.3 tt0 -43.75 -46.33 7.58 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-O 121.279 0.561 . . . . 0.0 109.943 -178.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -59.75 -49.36 78.03 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.67 179.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 23.9 mt -55.16 -39.19 69.23 Favored 'General case' 0 C--O 1.219 -0.545 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.178 -179.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -60.17 -48.2 82.72 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.402 178.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.528 ' NH2' ' O ' ' A' ' 70' ' ' ASN . 94.1 mtt180 -60.82 -49.45 77.44 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.547 -179.125 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -64.62 -47.43 78.58 Favored 'General case' 0 N--CA 1.462 0.173 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.728 179.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.427 ' NE2' ' O ' ' A' ' 84' ' ' LYS . 62.7 mt-30 -54.6 -42.48 71.17 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 -179.544 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -60.6 -38.73 85.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.36 178.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.22 -19.07 64.72 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.3 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.474 ' O ' ' CZ ' ' A' ' 62' ' ' ARG . . . 105.84 8.88 33.69 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 111.316 -0.714 . . . . 0.0 111.316 -179.592 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -110.8 146.8 35.76 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 121.086 0.47 . . . . 0.0 110.819 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.69 -34.65 45.99 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.496 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.438 ' CG ' ' H ' ' A' ' 35' ' ' GLU . 17.7 t70 -165.46 175.13 9.3 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.669 -179.734 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.526 ' OE2' ' NH2' ' A' ' 49' ' ' ARG . 98.0 mt-10 -48.99 -36.83 18.54 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.167 -178.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 18.7 mm -49.32 -59.22 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.121 -179.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 48.4 tp10 -60.54 -39.27 87.28 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.823 0.344 . . . . 0.0 110.74 -178.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -59.87 -46.02 90.65 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.231 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.52 ' O ' ' N ' ' A' ' 43' ' ' GLN . 62.9 mttm -60.11 -41.11 91.87 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.651 -0.25 . . . . 0.0 110.933 -179.215 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 -60.44 -43.68 96.56 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.793 0.33 . . . . 0.0 110.595 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 70.2 t -61.54 -43.96 97.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.949 -179.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp -93.75 1.0 56.63 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.809 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.52 ' N ' ' O ' ' A' ' 39' ' ' LYS . 95.7 mt-30 46.9 50.42 13.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.77 179.69 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 26.7 m -129.74 -173.0 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.568 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.516 ' C ' ' NZ ' ' A' ' 39' ' ' LYS . . . -143.76 30.14 1.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.738 -179.675 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.8 mtt -161.94 127.4 3.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 43.6 t -105.21 130.42 56.44 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -60.42 127.68 32.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.965 0.412 . . . . 0.0 110.624 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.526 ' NH2' ' OE2' ' A' ' 35' ' ' GLU . 74.3 mtt180 -144.08 159.29 42.87 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.075 -179.619 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.492 ' O ' ' N ' ' A' ' 54' ' ' GLY . 70.6 m95 -91.04 138.26 26.1 Favored Pre-proline 0 CA--C 1.535 0.384 0 C-N-CA 119.982 -0.687 . . . . 0.0 111.136 -179.621 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -63.8 -32.78 66.84 Favored 'Trans proline' 0 C--N 1.303 -1.855 0 C-N-CA 122.492 2.128 . . . . 0.0 112.923 -178.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.525 ' OE1' ' NZ ' ' A' ' 71' ' ' LYS . 47.0 mt-10 -52.33 -48.19 65.59 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.824 -178.532 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -126.09 -37.93 2.21 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.75 0.309 . . . . 0.0 111.111 179.721 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 50' ' ' TRP . . . 101.26 18.1 20.33 Favored Glycine 0 CA--C 1.521 0.463 0 C-N-CA 120.611 -0.804 . . . . 0.0 111.202 -179.333 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -77.44 163.18 26.6 Favored 'General case' 0 CA--C 1.519 -0.238 0 O-C-N 122.437 -0.449 . . . . 0.0 110.509 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 63.9 t -67.33 122.29 18.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 O-C-N 123.414 0.446 . . . . 0.0 111.025 -178.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -73.69 -51.04 17.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.724 179.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 62.4 pttt -145.62 150.15 35.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.234 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.4 tp -147.41 141.18 25.7 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 121.125 0.488 . . . . 0.0 110.705 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -93.22 134.07 35.79 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.774 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 22.4 mtt180 -76.87 170.3 16.73 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.26 0.552 . . . . 0.0 110.96 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.474 ' CZ ' ' O ' ' A' ' 31' ' ' GLY . 4.5 tpp180 -68.03 -9.33 44.99 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.262 179.398 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.42 ' O ' ' CB ' ' A' ' 64' ' ' ASN . 94.4 m-20 -97.92 7.28 46.61 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.107 -179.609 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.42 ' CB ' ' O ' ' A' ' 63' ' ' ASP . 1.9 m-20 79.03 -6.81 1.85 Allowed 'General case' 0 CA--C 1.52 -0.177 0 O-C-N 123.258 0.349 . . . . 0.0 110.392 179.481 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 18.2 p -75.22 125.39 28.86 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -74.98 128.98 36.85 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.598 -179.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -124.54 116.27 22.19 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 120.961 0.41 . . . . 0.0 109.972 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -81.34 143.34 32.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.399 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -117.55 153.35 33.36 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.732 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.528 ' O ' ' NH2' ' A' ' 26' ' ' ARG . 0.3 OUTLIER -96.66 126.63 41.97 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.029 -179.876 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.525 ' NZ ' ' OE1' ' A' ' 52' ' ' GLU . 13.4 pttt -58.0 -24.66 59.11 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.41 0.624 . . . . 0.0 110.688 -179.544 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.52 ' CB ' ' OD1' ' A' ' 70' ' ' ASN . 2.4 tt0 -73.3 154.29 40.2 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.827 -178.472 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.654 ' NE ' ' CE2' ' A' ' 17' ' ' TRP . 0.0 OUTLIER -56.17 130.85 45.99 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.056 179.495 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -127.89 -25.54 3.05 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.381 178.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . 0.603 ' O ' ' NH1' ' A' ' 73' ' ' ARG . 36.2 m -80.77 132.02 35.48 Favored 'General case' 0 C--O 1.218 -0.579 0 CA-C-O 120.901 0.381 . . . . 0.0 111.209 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -112.48 165.48 12.19 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -48.34 -33.48 9.03 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-O 121.147 0.499 . . . . 0.0 109.948 -179.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.17 -28.79 69.91 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.612 179.212 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.554 ' O ' ' N ' ' A' ' 83' ' ' VAL . 74.5 mt-10 -81.79 -30.08 32.43 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 109.946 -0.391 . . . . 0.0 109.946 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 63.8 t -56.79 -47.5 82.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -64.89 -42.94 94.37 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.741 179.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 33.5 mtmt -74.84 -24.81 58.66 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.231 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.554 ' N ' ' O ' ' A' ' 79' ' ' GLU . 68.3 t -83.88 130.75 35.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.322 0.582 . . . . 0.0 111.56 -179.446 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.427 ' O ' ' NE2' ' A' ' 28' ' ' GLN . 22.6 pttm -109.4 142.76 39.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.109 179.58 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.6 t -107.75 124.31 63.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.914 0.387 . . . . 0.0 110.774 -178.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.568 ' CD1' ' O ' ' A' ' 86' ' ' TYR . 0.3 OUTLIER -89.77 146.8 24.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.845 179.807 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 4.2 m -128.45 128.54 68.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.989 0.423 . . . . 0.0 110.406 179.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 44.8 p90 . . . . . 0 C--O 1.218 -0.582 0 CA-C-O 118.065 -0.969 . . . . 0.0 110.555 179.869 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.299 0 N-CA-C 109.577 -1.409 . . . . 0.0 109.577 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 12.0 t 50.37 -162.48 0.06 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.801 0.334 . . . . 0.0 110.575 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . 0.417 ' O ' ' ND1' ' A' ' -1' ' ' HIS . 52.5 t-80 47.66 42.06 14.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.492 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 0' ' ' MET . . . . . 0.459 ' O ' ' CG ' ' A' ' 0' ' ' MET . 0.0 OUTLIER -138.13 52.54 1.84 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.685 -179.888 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.2 mmt -69.96 139.79 52.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.46 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -70.61 123.55 22.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.581 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 98.5 m -61.82 -48.2 81.67 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.449 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 35.9 t -163.66 123.72 2.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.398 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 58.3 p30 -158.21 -178.89 7.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.535 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 67.5 t -109.77 119.71 59.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.375 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -99.09 149.15 35.5 Favored Pre-proline 0 CA--C 1.532 0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.36 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -67.84 150.96 78.89 Favored 'Trans proline' 0 C--N 1.308 -1.601 0 C-N-CA 122.786 2.324 . . . . 0.0 112.428 179.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -97.0 -40.38 8.9 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.857 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 49.2 m -162.39 169.71 20.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.858 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.8 mp -129.63 128.88 66.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.504 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 67.8 m -118.88 175.93 5.52 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.387 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? -117.15 132.63 56.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.637 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.62 151.97 45.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.963 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 34.8 mmtm -96.07 -39.75 9.58 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.554 -179.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.1 tptm -131.39 -174.88 3.52 Favored 'General case' 0 C--N 1.334 -0.086 0 CA-C-O 121.079 0.466 . . . . 0.0 110.916 179.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.468 ' CE2' ' HG2' ' A' ' 73' ' ' ARG . 66.5 t90 -95.67 125.89 40.56 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.674 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.486 ' O ' ' N ' ' A' ' 21' ' ' ILE . 42.5 t -150.34 151.81 33.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.498 179.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -42.15 -27.16 0.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.252 -179.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 18' ' ' SER . 98.9 mt-10 -69.47 -40.5 77.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.749 179.374 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.486 ' N ' ' O ' ' A' ' 18' ' ' SER . 4.6 mm -72.76 -59.31 3.51 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.164 -179.004 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.537 ' OE2' ' NH1' ' A' ' 73' ' ' ARG . 32.0 tp10 -48.01 -48.6 32.71 Favored 'General case' 0 CA--C 1.512 -0.503 0 C-N-CA 120.489 -0.484 . . . . 0.0 110.104 -178.728 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -56.61 -52.06 66.28 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 120.488 -0.485 . . . . 0.0 111.079 -179.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 64.7 mt -55.65 -40.39 72.17 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.097 -179.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -60.95 -48.13 83.23 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.802 0.334 . . . . 0.0 110.152 178.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.729 HH21 ' NH2' ' A' ' 73' ' ' ARG . 87.2 mtt180 -61.95 -50.09 73.53 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.631 -0.427 . . . . 0.0 111.113 -179.265 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -63.19 -47.77 81.18 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.3 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -55.89 -40.59 73.22 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.523 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 73.5 mm-40 -63.58 -38.41 91.04 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.475 177.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.87 -17.48 63.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.478 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.508 ' O ' ' NE ' ' A' ' 62' ' ' ARG . . . 104.97 7.99 37.36 Favored Glycine 0 CA--C 1.527 0.82 0 N-CA-C 111.255 -0.738 . . . . 0.0 111.255 -179.711 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -111.98 147.05 36.74 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-O 120.936 0.398 . . . . 0.0 110.449 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -77.08 -34.31 56.99 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.847 179.799 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.455 ' OD2' ' OH ' ' A' ' 86' ' ' TYR . 51.7 p-10 -165.82 176.54 7.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.514 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -49.7 -37.49 29.21 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.502 -179.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 31.8 mm -52.8 -56.42 7.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.084 -179.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 52.4 tp10 -60.5 -39.98 89.69 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.006 0.432 . . . . 0.0 110.486 -179.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 43.4 t80 -60.99 -47.42 86.52 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.461 179.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.476 ' O ' ' N ' ' A' ' 43' ' ' GLN . 43.9 mttm -60.42 -41.14 93.33 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.12 -178.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -62.36 -42.6 99.53 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.636 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 75.8 t -62.56 -44.94 99.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.203 -179.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.467 ' NZ ' ' CD ' ' A' ' 60' ' ' GLN . 72.3 mmtt -94.8 4.2 54.1 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 -179.647 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.476 ' N ' ' O ' ' A' ' 39' ' ' LYS . 19.3 mp0 46.15 50.49 11.82 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.619 179.195 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 26.7 m -127.6 -171.61 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.548 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.448 ' C ' ' NZ ' ' A' ' 39' ' ' LYS . . . -144.77 22.36 1.61 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.762 -179.591 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.47 ' O ' ' SD ' ' A' ' 46' ' ' MET . 0.0 OUTLIER -161.27 143.22 11.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.678 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.2 t -116.94 137.38 51.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.239 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -69.06 120.62 15.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.319 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.492 ' CZ ' ' O ' ' A' ' 54' ' ' GLY . 22.2 mtm180 -136.52 165.87 24.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.544 -179.376 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.525 ' O ' ' N ' ' A' ' 54' ' ' GLY . 68.9 m95 -94.15 140.43 22.85 Favored Pre-proline 0 C--O 1.217 -0.637 0 C-N-CA 120.362 -0.535 . . . . 0.0 111.081 -179.457 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -65.78 -30.69 49.62 Favored 'Trans proline' 0 C--N 1.3 -1.976 0 C-N-CA 122.456 2.104 . . . . 0.0 112.61 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 52.3 mp0 -56.37 -50.55 71.23 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.153 -178.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.491 ' OG1' ' CD2' ' A' ' 55' ' ' TYR . 24.7 p -119.57 -31.06 4.68 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.706 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 50' ' ' TRP . . . 90.54 18.46 48.58 Favored Glycine 0 N--CA 1.465 0.586 0 C-N-CA 120.62 -0.8 . . . . 0.0 111.112 -179.587 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.491 ' CD2' ' OG1' ' A' ' 53' ' ' THR . 23.3 m-85 -83.75 159.67 21.42 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.81 0.338 . . . . 0.0 111.088 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.456 ' O ' ' NH1' ' A' ' 26' ' ' ARG . 87.4 t -59.19 124.26 13.08 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.604 -178.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -77.67 -48.76 16.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.768 179.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 62.3 pttt -141.2 146.19 36.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.024 -179.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -145.41 137.82 25.82 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.955 179.325 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.467 ' CD ' ' NZ ' ' A' ' 42' ' ' LYS . 14.0 tt0 -90.07 131.63 35.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.883 0.373 . . . . 0.0 110.317 179.443 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.9 mmm180 -73.77 165.28 25.39 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 -179.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.508 ' NE ' ' O ' ' A' ' 31' ' ' GLY . 4.5 mtt-85 -65.91 -6.57 12.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.307 179.616 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.433 ' O ' ' CB ' ' A' ' 64' ' ' ASN . 95.8 m-20 -100.48 7.75 43.96 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.918 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.433 ' CB ' ' O ' ' A' ' 63' ' ' ASP . 3.5 m-20 79.76 -6.46 1.79 Allowed 'General case' 0 CA--C 1.522 -0.112 0 O-C-N 123.355 0.409 . . . . 0.0 110.567 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 25.2 p -76.2 125.67 29.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.375 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -70.86 129.13 38.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.707 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -122.17 112.84 18.69 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.337 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -82.63 141.87 32.17 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.482 179.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -114.28 151.02 33.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.312 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.481 ' OD1' ' CB ' ' A' ' 72' ' ' GLU . 0.3 OUTLIER -98.9 125.42 44.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.229 179.554 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 30.5 pttt -56.76 -17.86 10.58 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.171 0.51 . . . . 0.0 110.378 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.518 ' O ' ' NH2' ' A' ' 73' ' ' ARG . 1.5 mt-10 -77.65 143.0 38.53 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 -179.52 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.76 ' HA ' ' NE ' ' A' ' 73' ' ' ARG . 0.0 OUTLIER -116.0 116.86 28.67 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 179.162 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -112.72 32.32 5.73 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.564 178.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 1.7 t -87.93 141.58 28.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.283 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -129.3 174.42 9.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.385 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.438 ' O ' ' ND1' ' A' ' 81' ' ' HIS . 92.2 m-20 -47.91 -24.07 0.93 Allowed 'General case' 0 C--O 1.236 0.366 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.307 -179.069 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 55.1 pttt -68.0 -30.78 70.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.493 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.449 ' O ' ' CG2' ' A' ' 83' ' ' VAL . 3.7 mm-40 -83.49 -34.91 25.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.84 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 54.5 t -57.32 -44.15 83.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.438 ' ND1' ' O ' ' A' ' 77' ' ' ASP . 78.8 m80 -71.01 -40.74 71.62 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.967 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.52 -27.88 63.51 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.866 0.365 . . . . 0.0 110.777 179.646 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.449 ' CG2' ' O ' ' A' ' 79' ' ' GLU . 77.8 t -79.05 134.81 27.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.284 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.27 143.3 35.72 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.593 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 16.4 t -115.05 115.48 49.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 120.867 0.365 . . . . 0.0 110.079 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.575 ' CD1' ' O ' ' A' ' 86' ' ' TYR . 0.2 OUTLIER -85.0 150.28 25.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.932 -179.675 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.46 ' CG1' ' O ' ' A' ' 87' ' ' VAL . 4.8 p -129.31 123.11 57.39 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.286 179.565 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 31.5 p90 . . . . . 0 C--O 1.218 -0.587 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.378 179.915 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.208 0 N-CA-C 109.469 -1.452 . . . . 0.0 109.469 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 82.7 p -67.08 -22.73 65.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.861 0.362 . . . . 0.0 110.573 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 34.1 p80 -89.98 170.65 10.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.57 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 3.1 tpt -148.46 9.66 0.83 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.444 179.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.1 ptp -147.75 155.77 42.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.583 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.35 142.34 58.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.69 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.9 m 51.53 69.47 0.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.569 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.42 ' HG ' ' N ' ' A' ' 5' ' ' ASP . 87.1 p -64.06 -41.39 97.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.704 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.42 ' N ' ' HG ' ' A' ' 4' ' ' SER . 26.9 t70 -173.16 67.09 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.569 179.582 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 93.6 t -118.26 127.52 75.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.73 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -116.42 150.52 45.58 Favored Pre-proline 0 N--CA 1.45 -0.473 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.462 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -46.54 165.75 0.08 OUTLIER 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 123.094 2.53 . . . . 0.0 112.134 178.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.445 ' O ' ' OG ' ' A' ' 10' ' ' SER . 38.1 ttpt -82.83 -41.94 18.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.961 179.217 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.445 ' OG ' ' O ' ' A' ' 9' ' ' LYS . 69.5 m -170.53 174.21 5.19 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.611 -178.701 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.5 mp -131.47 130.75 62.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.694 179.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 64.3 m -123.02 178.67 4.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.631 -179.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.3 mtm105 -115.52 131.94 56.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.674 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.23 152.48 45.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.578 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? -95.23 -39.97 9.8 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.899 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.785 ' CD ' ' H ' ' A' ' 17' ' ' TRP . 0.1 OUTLIER -137.06 -171.09 2.86 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.886 -179.883 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.785 ' H ' ' CD ' ' A' ' 16' ' ' LYS . 48.6 t90 -96.59 133.21 41.37 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.466 -0.788 . . . . 0.0 112.1 179.701 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 21' ' ' ILE . 84.1 p -157.01 155.8 31.86 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.199 178.215 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.4 pt-20 -42.47 -27.96 0.19 Allowed 'General case' 0 C--O 1.237 0.399 0 CA-C-O 120.937 0.399 . . . . 0.0 110.254 -179.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -69.73 -43.76 71.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.47 179.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.491 ' O ' ' N ' ' A' ' 24' ' ' LEU . 15.6 mm -73.28 -61.19 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 C-N-CA 120.606 -0.438 . . . . 0.0 110.417 -178.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.545 ' OE1' ' CE1' ' A' ' 55' ' ' TYR . 85.4 tt0 -37.85 -46.24 0.92 Allowed 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 -179.108 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -62.25 -46.19 89.94 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.661 178.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' A' ' 21' ' ' ILE . 2.2 mm? -55.38 -46.33 76.52 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.823 -179.735 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -56.23 -49.71 73.35 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 121.004 -0.278 . . . . 0.0 110.624 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.558 ' NH2' ' O ' ' A' ' 70' ' ' ASN . 93.4 mtt180 -60.11 -46.58 89.14 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.203 -179.502 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -62.56 -49.18 76.29 Favored 'General case' 0 CA--C 1.528 0.124 0 CA-C-O 120.734 0.302 . . . . 0.0 110.537 179.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.553 ' NE2' ' O ' ' A' ' 84' ' ' LYS . 74.3 mt-30 -55.96 -42.11 75.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.087 -179.668 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 89.8 mm-40 -63.35 -39.0 93.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.847 178.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 62' ' ' ARG . . . -73.84 -18.33 60.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.035 0.445 . . . . 0.0 110.625 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.506 ' HA3' ' HE ' ' A' ' 62' ' ' ARG . . . 103.32 5.65 45.85 Favored Glycine 0 CA--C 1.527 0.796 0 N-CA-C 111.311 -0.715 . . . . 0.0 111.311 -179.713 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -102.87 149.93 24.01 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 121.14 0.495 . . . . 0.0 110.501 179.192 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.34 -39.45 16.45 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.315 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.504 ' CG ' ' H ' ' A' ' 35' ' ' GLU . 31.8 t70 -166.61 173.56 9.61 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.398 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.504 ' H ' ' CG ' ' A' ' 34' ' ' ASP . 4.5 mm-40 -42.79 -35.03 1.04 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.644 -179.235 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 88.8 mt -54.16 -49.06 64.8 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 C-N-CA 120.67 -0.412 . . . . 0.0 111.277 -177.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -68.22 -42.51 79.69 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 120.924 -0.311 . . . . 0.0 111.586 -179.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -59.22 -47.4 85.46 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.222 -179.084 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.481 ' O ' ' N ' ' A' ' 43' ' ' GLN . 58.4 mttp -61.35 -41.34 96.89 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.262 -179.188 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -63.25 -42.07 99.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.846 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.0 t -61.7 -45.97 97.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.399 -179.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -94.17 0.81 56.0 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.664 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.481 ' N ' ' O ' ' A' ' 39' ' ' LYS . 77.3 mm-40 48.61 51.33 15.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.931 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 32.7 m -129.67 -173.2 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.404 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -138.05 8.24 2.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.63 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -138.71 136.45 35.8 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.992 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 17.7 t -108.52 137.94 37.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.38 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -70.68 118.11 13.05 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.212 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.522 ' NE ' ' O ' ' A' ' 54' ' ' GLY . 33.1 mtp180 -140.62 164.5 30.0 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.544 -179.578 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.463 ' O ' ' N ' ' A' ' 54' ' ' GLY . 80.2 m95 -92.18 143.55 27.68 Favored Pre-proline 0 C--O 1.219 -0.521 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.121 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -66.8 -34.22 31.61 Favored 'Trans proline' 0 C--N 1.303 -1.855 0 C-N-CA 122.566 2.178 . . . . 0.0 112.355 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -46.07 -48.12 17.04 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.648 -178.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.558 ' OG1' ' CD2' ' A' ' 55' ' ' TYR . 23.2 p -131.22 -34.45 1.42 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.23 179.544 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.522 ' O ' ' NE ' ' A' ' 49' ' ' ARG . . . 100.64 21.77 12.14 Favored Glycine 0 N--CA 1.463 0.483 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 -179.624 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.558 ' CD2' ' OG1' ' A' ' 53' ' ' THR . 29.3 m-85 -79.88 158.28 26.75 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 120.635 0.255 . . . . 0.0 110.86 179.501 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.466 ' O ' ' NH1' ' A' ' 26' ' ' ARG . 56.7 t -60.82 120.66 6.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.598 -179.102 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 45.4 tttm -74.79 -49.29 21.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.663 179.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 62.4 pttt -143.34 148.7 36.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.261 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.6 tp -146.87 130.82 17.18 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.796 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -81.25 133.49 35.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.601 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' ' 61' ' ' ARG . 3.6 mtm105 -75.6 168.07 20.7 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.493 -178.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.506 ' HE ' ' HA3' ' A' ' 31' ' ' GLY . 2.5 mtm180 -68.27 -6.71 25.31 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.545 179.18 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -100.42 11.2 39.98 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.65 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 14.9 m-20 69.33 36.95 2.16 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 120.638 0.256 . . . . 0.0 111.173 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 25.2 p -120.26 129.61 54.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.23 179.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -76.71 123.23 25.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.767 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -121.91 120.63 35.03 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.379 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -82.18 136.31 35.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.459 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -107.86 157.04 18.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.765 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.558 ' O ' ' NH2' ' A' ' 26' ' ' ARG . 2.4 p30 -90.81 127.58 36.4 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.537 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.25 -14.86 59.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.283 0.563 . . . . 0.0 110.49 179.614 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.522 ' O ' ' C ' ' A' ' 73' ' ' ARG . 99.5 mt-10 -83.13 69.56 9.9 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.021 -179.457 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.671 ' NE ' ' CE2' ' A' ' 17' ' ' TRP . 0.0 OUTLIER -31.05 122.46 0.22 Allowed 'General case' 0 N--CA 1.445 -0.701 0 O-C-N 123.783 0.677 . . . . 0.0 109.924 179.515 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -145.33 38.77 1.16 Allowed 'General case' 0 C--N 1.322 -0.61 0 O-C-N 121.883 -0.51 . . . . 0.0 110.211 176.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 1.2 m -89.15 154.85 19.82 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.773 0.321 . . . . 0.0 110.953 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -126.83 171.0 11.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.636 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.467 ' OD1' ' N ' ' A' ' 78' ' ' LYS . 55.7 p-10 -49.97 -19.56 0.74 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.527 -179.556 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.467 ' N ' ' OD1' ' A' ' 77' ' ' ASP . 38.8 ttpt -63.12 -39.65 95.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.658 179.525 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -81.12 -31.7 34.13 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-O 120.671 0.272 . . . . 0.0 110.399 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 78.9 t -57.83 -45.44 87.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.895 0.378 . . . . 0.0 110.0 -179.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 74.5 m80 -70.16 -40.28 74.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.949 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.02 -27.29 64.55 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 72.2 t -87.88 134.99 26.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.985 -179.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.553 ' O ' ' NE2' ' A' ' 28' ' ' GLN . 38.6 pttt -115.03 131.78 56.81 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.345 179.58 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 38.4 t -98.52 123.71 51.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.023 0.439 . . . . 0.0 110.329 -179.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.542 ' CD1' ' O ' ' A' ' 86' ' ' TYR . 0.2 OUTLIER -83.74 153.62 24.05 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.713 179.542 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.0 m -126.64 126.97 69.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.626 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 43.7 p90 . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 118.003 -0.999 . . . . 0.0 110.424 179.863 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.273 0 N-CA-C 109.61 -1.396 . . . . 0.0 109.61 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 48.3 t -60.75 -45.0 96.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.595 0.236 . . . . 0.0 110.607 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -135.45 106.28 6.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.504 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 1.9 ttt -175.86 117.26 0.14 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.484 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 75.4 mtm -104.68 127.94 52.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.5 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -71.39 146.18 48.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.622 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 72.3 p -79.59 -11.13 59.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.588 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 72.6 p -106.02 62.6 0.66 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.806 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.449 ' OD1' ' O ' ' A' ' 5' ' ' ASP . 53.8 p-10 -124.65 83.84 2.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.62 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 85.1 t -98.71 119.3 46.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.696 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 60.0 pttt -75.57 149.24 83.6 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.792 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.509 ' HB3' ' CD1' ' A' ' 86' ' ' TYR . 43.3 Cg_endo -68.89 162.75 40.21 Favored 'Trans proline' 0 C--N 1.308 -1.562 0 C-N-CA 122.725 2.283 . . . . 0.0 112.675 179.123 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -81.88 -50.03 9.65 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.7 m -155.17 164.71 38.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.408 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 40.5 mm -121.62 129.88 75.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.101 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.7 m -123.3 173.87 7.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.549 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.477 ' CZ ' ' O ' ' A' ' 81' ' ' HIS . 30.5 mmm-85 -113.45 128.78 56.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.536 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.29 151.81 22.43 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.674 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -99.45 -41.9 7.19 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.997 -179.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -146.35 148.34 32.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.335 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.426 ' CD1' ' SG ' ' A' ' 75' ' ' CYS . 65.4 t90 -56.39 137.17 53.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.151 -179.228 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 60.1 p -167.36 164.72 15.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.511 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -45.35 -35.29 3.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.513 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -65.39 -48.18 73.76 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.576 179.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.429 ' O ' ' C ' ' A' ' 22' ' ' GLU . 4.3 mm -67.7 -57.82 8.25 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.487 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 -178.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 21' ' ' ILE . 2.1 tm-20 -37.73 -46.3 0.88 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 123.579 0.549 . . . . 0.0 110.023 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.539 ' OD1' ' CE1' ' A' ' 27' ' ' PHE . 1.7 t30 -62.95 -47.71 82.02 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.191 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 21' ' ' ILE . 3.1 mm? -54.74 -47.07 74.28 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.677 -178.688 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -58.98 -49.6 77.28 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.784 -0.367 . . . . 0.0 110.533 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.65 ' HE ' ' NH1' ' A' ' 73' ' ' ARG . 91.3 mtt180 -59.24 -47.64 84.61 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.335 -0.546 . . . . 0.0 110.623 -179.304 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.539 ' CE1' ' OD1' ' A' ' 23' ' ' ASN . 7.0 m-85 -63.12 -48.09 79.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.949 0.404 . . . . 0.0 110.376 -179.624 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.531 ' NE2' ' O ' ' A' ' 84' ' ' LYS . 72.1 mt-30 -55.88 -43.31 77.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.064 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 94.0 mm-40 -63.13 -39.63 95.25 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.613 178.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.78 -20.13 61.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.868 0.366 . . . . 0.0 110.461 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 107.46 2.22 35.22 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.385 -0.686 . . . . 0.0 111.385 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -104.23 150.14 24.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.962 0.41 . . . . 0.0 109.993 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.93 -35.5 20.45 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.71 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.483 ' CG ' ' H ' ' A' ' 35' ' ' GLU . 37.4 t0 -174.22 -176.08 1.09 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.682 -179.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.483 ' H ' ' CG ' ' A' ' 34' ' ' ASP . 15.7 pt-20 -43.08 -42.04 3.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.859 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.419 HG23 HD13 ' A' ' 36' ' ' ILE . 46.3 mm -48.97 -63.61 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 C-N-CA 120.731 -0.388 . . . . 0.0 111.217 -178.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.448 ' OE2' ' NH2' ' A' ' 62' ' ' ARG . 51.3 tp10 -63.79 -42.17 97.78 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.377 -179.173 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.47 ' C ' ' CD1' ' A' ' 38' ' ' TYR . 1.5 t80 -58.8 -51.09 71.49 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 119.76 -0.776 . . . . 0.0 110.965 -177.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.602 ' O ' ' N ' ' A' ' 43' ' ' GLN . 97.7 mttt -61.57 -40.66 95.53 Favored 'General case' 0 C--O 1.22 -0.456 0 C-N-CA 120.679 -0.408 . . . . 0.0 111.276 -178.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -62.83 -41.7 99.43 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.368 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 72.8 t -60.6 -46.51 95.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 C-N-CA 120.747 -0.381 . . . . 0.0 111.452 -178.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -99.99 0.06 40.3 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.802 -179.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.602 ' N ' ' O ' ' A' ' 39' ' ' LYS . 73.8 mt-30 47.53 53.45 11.07 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.577 -179.702 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 16.8 m -117.81 -169.53 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.683 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -137.77 -34.87 0.66 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.99 -179.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 26.8 ptt? -110.84 148.41 32.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.486 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 48.0 t -113.15 135.85 51.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.333 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -72.61 117.99 14.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.22 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.505 ' CZ ' ' O ' ' A' ' 54' ' ' GLY . 29.2 mtp180 -139.14 170.21 16.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.496 -179.638 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.435 ' O ' ' N ' ' A' ' 54' ' ' GLY . 65.3 m95 -97.11 141.85 23.65 Favored Pre-proline 0 C--O 1.221 -0.417 0 C-N-CA 120.125 -0.63 . . . . 0.0 111.068 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -65.48 -29.75 52.99 Favored 'Trans proline' 0 C--N 1.306 -1.691 0 C-N-CA 122.423 2.082 . . . . 0.0 112.785 -179.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 32.9 mp0 -51.99 -50.52 61.15 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.589 -178.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.504 ' OG1' ' CD2' ' A' ' 55' ' ' TYR . 45.0 p -126.47 -35.36 2.37 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.97 -0.292 . . . . 0.0 111.113 179.678 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.505 ' O ' ' CZ ' ' A' ' 49' ' ' ARG . . . 99.66 25.34 9.29 Favored Glycine 0 N--CA 1.463 0.456 0 C-N-CA 120.596 -0.811 . . . . 0.0 111.268 -179.671 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.504 ' CD2' ' OG1' ' A' ' 53' ' ' THR . 28.9 m-85 -86.51 154.8 20.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.727 0.299 . . . . 0.0 110.635 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.511 ' O ' ' NH1' ' A' ' 26' ' ' ARG . 41.1 t -56.94 124.09 9.85 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.227 -178.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -75.18 -51.83 12.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.996 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 63.0 pttt -141.85 148.19 38.4 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.383 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.435 HD11 ' CZ ' ' A' ' 38' ' ' TYR . 5.9 tp -147.63 134.92 20.6 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.564 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -85.47 136.13 33.56 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.429 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 22.3 mtt180 -78.55 168.35 19.91 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.215 -179.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.448 ' NH2' ' OE2' ' A' ' 37' ' ' GLU . 5.4 mmt180 -68.92 -7.11 31.85 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.178 179.634 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -98.27 5.65 48.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.712 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 73.79 37.42 0.67 Allowed 'General case' 0 N--CA 1.456 -0.165 0 CA-C-O 120.718 0.294 . . . . 0.0 111.137 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 33.0 p -121.44 129.81 53.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.244 179.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -74.47 124.13 26.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.432 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -122.06 117.98 27.63 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.293 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -82.0 134.58 35.37 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.442 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -106.17 153.63 21.84 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.633 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.539 ' O ' ' NH2' ' A' ' 26' ' ' ARG . 3.8 p30 -100.51 134.44 43.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.052 179.682 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.7 pttm -71.48 -31.01 66.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.126 0.488 . . . . 0.0 110.629 179.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 73' ' ' ARG . 97.2 mt-10 -74.49 53.0 0.52 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.27 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.65 ' NH1' ' HE ' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -32.41 138.65 0.05 OUTLIER 'General case' 0 C--O 1.232 0.139 0 O-C-N 123.704 0.628 . . . . 0.0 111.136 -179.553 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -127.71 36.11 4.4 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.863 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . 0.509 ' SG ' ' N ' ' A' ' 76' ' ' GLU . 0.7 OUTLIER -88.49 150.16 23.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.201 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.509 ' N ' ' SG ' ' A' ' 75' ' ' CYS . 5.0 tp10 -135.23 175.91 9.15 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.421 -179.591 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.523 ' OD1' ' N ' ' A' ' 78' ' ' LYS . 57.0 p30 -47.83 -20.24 0.29 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.303 -179.627 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.523 ' N ' ' OD1' ' A' ' 77' ' ' ASP . 37.0 ttpt -66.83 -36.9 83.42 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.64 179.235 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.525 ' O ' ' CG2' ' A' ' 83' ' ' VAL . 0.7 OUTLIER -80.45 -36.16 33.93 Favored 'General case' 0 C--O 1.216 -0.668 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.29 -179.734 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.415 ' CG2' ' N ' ' A' ' 17' ' ' TRP . 53.5 t -59.14 -41.65 84.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 C-N-CA 120.28 -0.568 . . . . 0.0 110.553 179.514 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.518 ' ND1' ' O ' ' A' ' 77' ' ' ASP . 60.8 m80 -68.32 -42.59 79.14 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.186 -0.461 . . . . 0.0 112.04 -178.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.99 -20.16 39.03 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.606 -0.438 . . . . 0.0 111.066 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.525 ' CG2' ' O ' ' A' ' 79' ' ' GLU . 74.2 t -85.75 138.08 19.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.447 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.531 ' O ' ' NE2' ' A' ' 28' ' ' GLN . 0.9 OUTLIER -108.07 159.46 16.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.564 179.635 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 60.0 t -127.42 124.25 63.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.511 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.532 ' CD1' ' N ' ' A' ' 87' ' ' VAL . 0.0 OUTLIER -87.88 141.5 28.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 179.686 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.532 ' N ' ' CD1' ' A' ' 86' ' ' TYR . 12.6 m -128.6 134.4 64.66 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-O 121.621 0.724 . . . . 0.0 111.348 179.31 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 29.8 p90 . . . . . 0 C--N 1.323 -0.554 0 CA-C-O 117.893 -1.051 . . . . 0.0 110.146 179.601 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.308 0 N-CA-C 109.573 -1.411 . . . . 0.0 109.573 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 1.4 p 47.23 81.77 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.778 0.323 . . . . 0.0 110.701 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -63.77 -39.3 93.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.563 179.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 0' ' ' MET . . . . . 0.509 ' CG ' ' H ' ' A' ' 1' ' ' MET . 1.8 ttt -134.86 -144.7 0.22 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.536 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.509 ' H ' ' CG ' ' A' ' 0' ' ' MET . 65.6 mtt -103.65 136.81 42.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.5 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.69 137.94 58.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.538 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 80.5 p -85.99 -31.09 22.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.733 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 46.0 t -163.09 148.77 11.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.672 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -106.07 142.39 35.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.297 179.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 98.4 t -89.88 109.54 20.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.465 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -118.5 149.91 47.02 Favored Pre-proline 0 C--N 1.331 -0.204 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.649 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -67.95 155.78 68.41 Favored 'Trans proline' 0 C--N 1.308 -1.598 0 C-N-CA 122.863 2.375 . . . . 0.0 112.2 179.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -82.09 -45.42 15.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.809 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 70.3 m -165.47 177.7 7.27 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.68 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.4 mp -133.05 130.56 58.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.416 179.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.3 m -119.33 177.46 4.9 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.556 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 91.1 mtt180 -111.24 130.51 55.63 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.764 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.86 148.12 52.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.509 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm -95.78 -37.12 10.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.346 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.9 ttpp -132.17 -177.46 4.46 Favored 'General case' 0 C--O 1.226 -0.144 0 CA-C-O 121.002 0.429 . . . . 0.0 111.022 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.424 ' NE1' ' HD3' ' A' ' 73' ' ' ARG . 61.4 t90 -96.64 134.56 39.73 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.984 -179.418 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.6 m -160.23 160.0 32.19 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.624 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -46.06 -28.48 1.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.081 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 49.4 mp0 -68.68 -44.17 74.58 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.688 179.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.403 ' O ' ' C ' ' A' ' 22' ' ' GLU . 5.5 mm -71.04 -58.81 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 C-N-CA 120.471 -0.492 . . . . 0.0 109.806 -179.324 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.424 ' CD ' ' N ' ' A' ' 23' ' ' ASN . 1.8 tm-20 -40.33 -45.41 2.13 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.985 -179.697 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.424 ' N ' ' CD ' ' A' ' 22' ' ' GLU . 1.0 OUTLIER -60.45 -49.59 76.97 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.797 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -54.59 -44.26 72.87 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.737 -178.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 73.1 t80 -59.73 -48.93 79.71 Favored 'General case' 0 C--N 1.319 -0.759 0 C-N-CA 120.794 -0.362 . . . . 0.0 111.248 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.761 HH21 HH12 ' A' ' 73' ' ' ARG . 90.3 mtt180 -61.77 -48.59 79.96 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.569 -0.452 . . . . 0.0 111.418 -178.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -65.35 -46.6 79.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.065 0.46 . . . . 0.0 110.552 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.518 ' NE2' ' O ' ' A' ' 84' ' ' LYS . 60.6 mt-30 -54.27 -42.08 69.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.971 -179.759 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -62.1 -36.84 82.94 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.409 178.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.36 -16.92 63.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.994 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 103.54 12.6 30.28 Favored Glycine 0 CA--C 1.527 0.804 0 N-CA-C 111.273 -0.731 . . . . 0.0 111.273 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -114.31 146.51 40.4 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 121.182 0.515 . . . . 0.0 110.962 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.405 ' CD ' ' H ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -76.48 -36.17 57.99 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.186 179.664 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 52.3 p-10 -161.01 170.6 20.22 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.352 179.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -51.0 -30.08 14.2 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.531 -179.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 48.8 mm -57.91 -48.44 83.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.617 -178.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 44.8 tp10 -64.66 -40.59 95.69 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.969 0.414 . . . . 0.0 110.191 -179.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -60.75 -46.59 89.88 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.527 179.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.583 ' O ' ' N ' ' A' ' 43' ' ' GLN . 59.6 mttp -59.9 -40.69 89.61 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.043 -178.694 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -62.33 -41.5 98.61 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.975 0.417 . . . . 0.0 110.587 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 76.9 t -61.73 -44.28 98.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.025 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 43' ' ' GLN . 27.4 mmtp -100.24 5.5 44.65 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.795 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.583 ' N ' ' O ' ' A' ' 39' ' ' LYS . 77.9 mt-30 37.93 59.74 1.3 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.636 179.583 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.0 m -113.11 -166.28 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.452 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -126.99 -28.7 2.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.805 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -151.03 163.64 38.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.49 -179.634 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 5.9 t -122.3 142.96 36.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 120.954 0.407 . . . . 0.0 110.244 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -66.47 145.7 55.37 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.044 0.449 . . . . 0.0 110.686 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 65.1 mtt85 -140.36 153.65 46.46 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.318 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.626 ' CZ2' ' NZ ' ' A' ' 57' ' ' LYS . 75.7 m95 -78.28 145.6 68.89 Favored Pre-proline 0 C--O 1.222 -0.36 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -179.677 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.496 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 38.3 Cg_endo -68.99 164.05 35.28 Favored 'Trans proline' 0 C--N 1.306 -1.663 0 C-N-CA 122.074 1.849 . . . . 0.0 110.178 175.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.496 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 9.1 tp10 82.68 -48.11 0.17 Allowed 'General case' 0 CA--C 1.512 -0.506 0 O-C-N 123.041 0.213 . . . . 0.0 110.845 179.597 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.497 ' HB ' ' CE2' ' A' ' 55' ' ' TYR . 69.9 p -118.86 -37.86 3.18 Favored 'General case' 0 CA--C 1.519 -0.226 0 C-N-CA 119.771 -0.771 . . . . 0.0 111.63 -178.714 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 50' ' ' TRP . . . 85.07 20.51 57.38 Favored Glycine 0 CA--C 1.525 0.687 0 C-N-CA 120.546 -0.835 . . . . 0.0 111.126 -179.68 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.497 ' CE2' ' HB ' ' A' ' 53' ' ' THR . 24.6 m-85 -71.1 163.1 28.28 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.866 -0.333 . . . . 0.0 110.666 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 96.1 t -58.68 128.29 19.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.821 -178.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.626 ' NZ ' ' CZ2' ' A' ' 50' ' ' TRP . 8.3 tptp -73.0 -50.77 21.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.817 -179.659 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -155.81 153.93 30.57 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.48 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -145.03 131.17 19.4 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.503 -0.479 . . . . 0.0 110.88 179.647 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -80.02 130.24 35.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.138 0.494 . . . . 0.0 110.82 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.2 mtm180 -75.73 168.02 20.8 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.639 -178.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 15.9 mtt-85 -65.64 -11.43 44.65 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.114 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -94.47 12.49 27.07 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.637 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 56.4 m-20 65.53 37.07 6.22 Favored 'General case' 0 C--N 1.333 -0.134 0 O-C-N 123.326 0.391 . . . . 0.0 111.279 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 29.4 p -118.66 129.33 55.24 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.466 179.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -76.08 120.1 20.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.577 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -115.28 115.47 26.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.125 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -82.51 141.96 32.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.342 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 66.9 m-85 -114.39 148.55 37.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.723 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.697 HD22 ' CB ' ' A' ' 72' ' ' GLU . 1.2 t30 -91.46 145.78 24.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.414 ' HB3' ' CG ' ' A' ' 50' ' ' TRP . 7.8 pttt -81.71 -21.25 38.11 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.673 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 1.036 ' O ' ' O ' ' A' ' 73' ' ' ARG . 1.0 OUTLIER -72.21 54.75 0.31 Allowed 'General case' 0 CA--C 1.499 -0.99 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.837 -178.658 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 1.036 ' O ' ' O ' ' A' ' 72' ' ' GLU . 4.1 tpm_? 8.05 153.67 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.528 0 CA-C-O 122.548 1.166 . . . . 0.0 112.709 -179.648 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.982 ' H ' ' NE ' ' A' ' 73' ' ' ARG . 7.9 tt0 -150.5 12.24 0.71 Allowed 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.126 -0.984 . . . . 0.0 111.472 177.665 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . 0.794 ' H ' ' HE ' ' A' ' 73' ' ' ARG . 45.4 t -93.85 130.19 39.99 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 120.808 0.337 . . . . 0.0 111.883 -179.347 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -117.91 169.38 9.67 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.53 178.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -49.13 -30.43 6.66 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-O 121.205 0.526 . . . . 0.0 110.273 -179.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 41.9 mtpt -63.98 -29.72 70.86 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.456 179.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.465 ' O ' ' N ' ' A' ' 83' ' ' VAL . 5.2 mt-10 -83.15 -28.19 29.55 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.785 179.481 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 56.1 t -57.73 -48.32 83.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 179.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 32.4 m170 -68.63 -40.65 80.24 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.701 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.6 mmmt -72.3 -26.65 62.04 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.934 0.397 . . . . 0.0 110.888 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.465 ' N ' ' O ' ' A' ' 79' ' ' GLU . 69.8 t -87.08 142.09 13.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.809 -179.773 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.518 ' O ' ' NE2' ' A' ' 28' ' ' GLN . 56.5 mtmt -113.84 158.12 21.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.49 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 61.7 t -127.11 126.95 69.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.67 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.534 ' CD1' ' O ' ' A' ' 86' ' ' TYR . 0.5 OUTLIER -81.33 144.66 31.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.42 179.731 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 6.3 m -126.19 138.02 55.91 Favored 'Isoleucine or valine' 0 C--O 1.231 0.132 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.582 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 35.3 p90 . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 118.041 -0.981 . . . . 0.0 110.521 -179.869 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.31 0 N-CA-C 109.62 -1.392 . . . . 0.0 109.62 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 69.9 m -67.59 144.37 55.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.819 0.342 . . . . 0.0 110.589 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -89.13 153.74 20.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.654 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.03 151.27 21.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.632 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.4 tpt -89.62 123.35 33.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.397 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.436 ' O ' ' O ' ' A' ' 3' ' ' THR . . . -67.55 145.93 54.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.53 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.436 ' O ' ' O ' ' A' ' 2' ' ' ALA . 0.0 OUTLIER 55.81 161.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.532 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.6 p -137.35 79.77 1.77 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.673 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 53.5 p-10 -81.35 -177.25 6.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.589 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 96.0 t -108.16 125.38 64.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.518 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.4 mmtp -98.27 150.2 36.5 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.351 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -67.95 156.4 66.04 Favored 'Trans proline' 0 C--N 1.309 -1.546 0 C-N-CA 122.726 2.284 . . . . 0.0 112.556 179.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -96.59 -41.97 8.28 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.397 -179.604 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 64.4 m -155.18 163.11 40.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.959 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.7 mp -129.81 134.42 63.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.572 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 39.0 t -126.22 176.57 6.98 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.55 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -113.81 130.64 56.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.527 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.45 154.21 39.14 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.061 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.73 -37.9 17.46 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.911 -179.729 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.718 ' CD ' ' H ' ' A' ' 17' ' ' TRP . 22.3 tptm -167.27 173.39 8.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.161 0.505 . . . . 0.0 111.122 179.573 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.718 ' H ' ' CD ' ' A' ' 16' ' ' LYS . 18.3 t90 -53.35 133.94 40.01 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.208 -0.906 . . . . 0.0 110.142 -178.71 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -163.23 162.99 25.61 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.123 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -56.81 -39.74 74.73 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.082 -178.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -66.77 -46.35 75.58 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.422 -0.511 . . . . 0.0 110.925 179.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.4 mm -70.2 -57.71 7.35 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.346 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 -178.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.557 ' OE2' ' NE ' ' A' ' 26' ' ' ARG . 6.3 tm-20 -39.8 -49.91 2.37 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.995 0.426 . . . . 0.0 110.373 179.584 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -60.67 -47.37 86.56 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.531 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 71.8 mt -58.39 -40.1 81.46 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.14 -179.065 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 23.7 t80 -59.59 -49.64 76.98 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.389 178.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.557 ' NE ' ' OE2' ' A' ' 22' ' ' GLU . 92.8 mtt180 -61.24 -46.19 91.42 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.431 -179.144 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -62.71 -49.33 75.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.871 0.367 . . . . 0.0 110.831 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.514 ' NE2' ' O ' ' A' ' 84' ' ' LYS . 69.2 mt-30 -57.39 -41.66 80.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.147 -178.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 89.6 mm-40 -62.7 -40.25 96.56 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.448 178.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 62' ' ' ARG . . . -72.68 -20.52 61.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.81 0.338 . . . . 0.0 110.601 179.521 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 107.27 1.91 35.61 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.481 ' CE2' ' O ' ' A' ' 60' ' ' GLN . 16.5 m-85 -100.19 150.23 22.73 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.07 0.462 . . . . 0.0 110.155 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.28 -35.47 18.45 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.383 -179.466 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.432 ' OD1' ' OH ' ' A' ' 86' ' ' TYR . 2.3 p-10 -170.98 -178.71 2.56 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.684 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -48.85 -35.76 15.37 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.175 -178.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 77.8 mt -55.33 -49.04 75.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.948 -178.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -67.61 -41.73 83.53 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.876 -0.33 . . . . 0.0 110.992 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -59.5 -46.92 87.43 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.03 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.532 ' O ' ' N ' ' A' ' 43' ' ' GLN . 97.8 mttt -60.33 -41.78 94.27 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 120.643 -0.423 . . . . 0.0 111.382 -179.496 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -63.69 -42.75 97.97 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.957 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 72.5 t -61.74 -45.83 97.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.859 0.362 . . . . 0.0 111.283 -179.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt -94.65 -0.33 54.49 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.609 -179.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.532 ' N ' ' O ' ' A' ' 39' ' ' LYS . 74.1 mm-40 50.52 51.49 16.76 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.526 -0.469 . . . . 0.0 110.838 179.604 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.7 m -128.55 -177.1 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.312 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -135.62 20.39 3.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 -179.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.7 mtm -158.28 142.75 16.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.494 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.1 t -115.01 134.36 58.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -68.88 135.49 51.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.745 0.307 . . . . 0.0 110.658 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.456 HH12 ' CG2' ' A' ' 56' ' ' VAL . 85.6 mtt-85 -145.37 169.13 18.9 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.731 -0.387 . . . . 0.0 110.232 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.509 ' O ' ' N ' ' A' ' 54' ' ' GLY . 68.0 m95 -95.89 139.47 21.85 Favored Pre-proline 0 C--O 1.221 -0.422 0 C-N-CA 120.194 -0.603 . . . . 0.0 111.068 179.71 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -64.95 -31.48 56.17 Favored 'Trans proline' 0 N--CA 1.497 1.717 0 C-N-CA 121.925 1.75 . . . . 0.0 113.084 -179.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -58.51 -51.04 71.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.034 -177.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 66.8 p -118.26 -30.67 5.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.614 -178.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 50' ' ' TRP . . . 87.64 20.5 50.94 Favored Glycine 0 C--O 1.224 -0.5 0 C-N-CA 119.921 -1.133 . . . . 0.0 111.097 -179.081 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.549 ' OH ' ' CH2' ' A' ' 17' ' ' TRP . 29.4 m-85 -82.47 164.01 21.21 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.159 -0.616 . . . . 0.0 110.774 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.456 ' CG2' HH12 ' A' ' 49' ' ' ARG . 64.8 t -58.85 125.6 15.13 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.464 -179.255 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.3 tptm -76.17 -53.55 8.12 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.719 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -143.56 145.47 32.56 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.391 -179.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.6 tp -146.17 128.41 15.75 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.083 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.481 ' O ' ' CE2' ' A' ' 32' ' ' TYR . 32.7 tt0 -81.46 135.16 35.62 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.907 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.5 mtm180 -77.09 164.81 25.35 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.785 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.495 ' N ' ' O ' ' A' ' 30' ' ' ALA . 14.0 mtt180 -64.25 -6.48 6.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.995 179.508 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -98.68 8.3 45.1 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.119 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 75.99 -4.12 2.43 Favored 'General case' 0 CA--C 1.522 -0.134 0 CA-C-O 120.846 0.355 . . . . 0.0 110.638 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 24.1 p -78.21 129.59 35.29 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.01 179.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -74.86 127.33 32.94 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.138 -179.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -122.64 112.27 17.77 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.164 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -83.35 136.71 34.25 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.197 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -105.63 151.89 23.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.542 179.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -103.23 124.21 48.2 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.374 179.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.8 pttm -49.04 -37.35 20.58 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.186 -0.605 . . . . 0.0 110.308 179.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.43 ' O ' ' C ' ' A' ' 73' ' ' ARG . 5.8 mt-10 -84.45 45.75 1.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.626 -0.429 . . . . 0.0 109.94 178.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.456 ' CG ' HH21 ' A' ' 26' ' ' ARG . 0.0 OUTLIER -33.56 146.89 0.02 OUTLIER 'General case' 0 C--O 1.231 0.122 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.275 -179.874 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -104.14 34.4 3.07 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.375 -0.829 . . . . 0.0 110.048 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . 0.508 ' SG ' ' OE1' ' A' ' 79' ' ' GLU . 83.4 m -88.21 137.76 32.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.555 179.395 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -130.35 173.41 10.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.748 -179.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.519 ' OD1' ' N ' ' A' ' 78' ' ' LYS . 44.1 p30 -47.49 -26.48 1.4 Allowed 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.676 -179.54 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.519 ' N ' ' OD1' ' A' ' 77' ' ' ASP . 38.8 ttpt -62.26 -39.19 92.07 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.119 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.508 ' OE1' ' SG ' ' A' ' 75' ' ' CYS . 98.4 mt-10 -81.38 -33.24 32.45 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.521 -0.472 . . . . 0.0 110.617 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 50.2 t -58.5 -47.9 86.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 C-N-CA 120.283 -0.567 . . . . 0.0 109.789 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 48.2 t-80 -60.83 -44.87 96.36 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.502 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 36.7 mtmt -72.89 -26.96 61.62 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.956 179.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.484 ' CG2' ' O ' ' A' ' 79' ' ' GLU . 54.0 t -76.69 134.64 28.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.286 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.514 ' O ' ' NE2' ' A' ' 28' ' ' GLN . 53.9 pttt -104.41 141.65 35.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.084 179.354 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 19.0 t -106.39 119.07 55.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 -179.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.539 ' CD1' ' O ' ' A' ' 86' ' ' TYR . 0.7 OUTLIER -89.35 140.85 29.09 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.707 -179.554 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 5.8 m -127.88 131.7 69.46 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.132 0 CA-C-O 121.17 0.51 . . . . 0.0 110.667 179.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 14.7 p90 . . . . . 0 C--O 1.219 -0.541 0 CA-C-O 118.047 -0.978 . . . . 0.0 110.62 179.978 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.367 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 83.5 p -70.59 159.5 34.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.889 0.376 . . . . 0.0 110.574 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 63.3 t-80 -61.55 -46.34 90.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.687 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 2.9 mtt -80.77 177.24 9.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.6 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.8 ttm 61.67 129.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.536 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -60.07 146.82 41.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.611 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 65.5 p -56.6 107.16 0.36 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.466 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.2 m 54.91 19.09 2.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.48 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 46.45 45.78 13.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.36 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 90.8 t -55.7 128.77 16.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.25 -179.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -117.44 152.17 49.07 Favored Pre-proline 0 CA--C 1.533 0.313 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.558 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -45.18 156.83 0.27 Allowed 'Trans proline' 0 N--CA 1.491 1.332 0 C-N-CA 122.51 2.14 . . . . 0.0 112.301 179.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 18.0 tttt -92.17 -27.34 17.76 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.398 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -172.56 -179.7 2.25 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.016 -179.631 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.8 mp -135.27 130.93 51.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.692 179.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.3 m -122.44 177.13 5.53 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.446 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.28 134.29 55.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.056 -179.596 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -48.35 154.54 0.6 Allowed 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.023 -179.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.14 -44.87 4.66 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 120.644 -0.422 . . . . 0.0 111.385 -179.352 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.6 tptt -141.78 -177.28 5.12 Favored 'General case' 0 C--O 1.22 -0.468 0 C-N-CA 120.436 -0.505 . . . . 0.0 110.541 -179.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.645 ' CZ2' ' N ' ' A' ' 75' ' ' CYS . 15.7 t90 -90.59 119.62 31.0 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 120.336 -0.545 . . . . 0.0 111.47 -178.787 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 42.3 t -157.94 156.86 32.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.829 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.817 ' N ' HH21 ' A' ' 73' ' ' ARG . 0.7 OUTLIER -45.93 -27.51 0.91 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.099 -179.672 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -66.59 -50.08 64.22 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.201 0.524 . . . . 0.0 110.134 179.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.408 ' O ' ' C ' ' A' ' 22' ' ' GLU . 19.4 mm -71.51 -58.5 5.03 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.499 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.074 -179.578 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.474 ' OE2' ' SG ' ' A' ' 75' ' ' CYS . 6.3 tp10 -43.17 -48.47 6.44 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.381 -0.528 . . . . 0.0 109.621 -178.642 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.402 ' ND2' ' C ' ' A' ' 23' ' ' ASN . 1.1 t30 -61.23 -48.3 82.12 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.771 179.337 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 31.6 mt -57.06 -36.01 70.02 Favored 'General case' 0 C--O 1.221 -0.426 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 -178.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -59.52 -47.49 85.31 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.579 -0.448 . . . . 0.0 109.898 178.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.511 ' NH2' ' O ' ' A' ' 70' ' ' ASN . 86.2 mtt180 -61.09 -49.83 75.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.471 -179.716 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -63.29 -48.48 77.96 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 120.893 0.378 . . . . 0.0 110.672 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.589 ' NE2' ' O ' ' A' ' 84' ' ' LYS . 73.3 mt-30 -57.37 -41.24 79.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.319 -179.678 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 50.7 mm-40 -58.75 -39.53 81.24 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.568 -0.453 . . . . 0.0 109.992 178.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.88 -14.95 62.58 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.073 179.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 103.52 1.53 46.91 Favored Glycine 0 CA--C 1.528 0.892 0 N-CA-C 111.402 -0.679 . . . . 0.0 111.402 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.49 ' N ' ' CD1' ' A' ' 32' ' ' TYR . 12.5 m-85 -99.02 145.88 26.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.962 0.41 . . . . 0.0 110.204 -179.145 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.657 ' N ' ' HE ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -79.47 -37.97 35.6 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.496 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -161.75 170.88 18.81 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.657 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -50.39 -25.78 4.26 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.153 -179.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.404 HG21 HD12 ' A' ' 36' ' ' ILE . 95.3 mt -59.87 -48.85 86.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.914 -179.48 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -64.54 -40.71 96.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.91 0.385 . . . . 0.0 110.471 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -60.13 -46.92 88.0 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.427 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.559 ' O ' ' N ' ' A' ' 43' ' ' GLN . 97.8 mttt -61.48 -39.0 89.32 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.554 -0.293 . . . . 0.0 111.471 -179.47 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -61.38 -46.03 91.86 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.86 0.362 . . . . 0.0 110.804 -179.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.0 t -62.37 -41.21 90.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.041 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -91.72 -7.0 50.98 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.606 -179.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.559 ' N ' ' O ' ' A' ' 39' ' ' LYS . 77.1 mm-40 51.74 50.23 19.14 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.631 -0.428 . . . . 0.0 111.041 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 30.3 m -129.5 -173.49 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.364 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -138.85 32.38 2.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.859 -179.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 16.4 ptm -162.19 149.92 14.3 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.762 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 10.8 t -128.97 136.66 59.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -64.43 128.93 37.91 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.867 0.365 . . . . 0.0 110.55 -179.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -143.68 166.54 24.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.645 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 81.1 m95 -99.9 142.34 24.43 Favored Pre-proline 0 CA--C 1.534 0.359 0 C-N-CA 120.279 -0.568 . . . . 0.0 110.874 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -65.82 -36.34 32.07 Favored 'Trans proline' 0 N--CA 1.497 1.697 0 C-N-CA 122.274 1.983 . . . . 0.0 112.897 -179.23 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -41.34 -48.3 3.65 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.606 -178.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.5 ' OG1' ' CD2' ' A' ' 55' ' ' TYR . 13.0 p -135.31 -36.64 0.8 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.4 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 102.15 34.74 4.15 Favored Glycine 0 CA--C 1.524 0.613 0 C-N-CA 120.885 -0.674 . . . . 0.0 111.88 -179.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.568 ' HH ' ' CZ ' ' A' ' 73' ' ' ARG . 54.7 m-85 -91.72 165.63 13.19 Favored 'General case' 0 C--O 1.237 0.426 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 178.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 59.6 t -63.07 119.78 7.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.07 -178.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 75.5 tttt -74.03 -49.64 23.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.121 179.13 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 61.0 pttt -150.07 154.08 37.52 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.608 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -151.26 135.21 16.57 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-O 121.154 0.502 . . . . 0.0 110.622 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -77.67 136.3 38.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.718 -0.673 . . . . 0.0 109.545 179.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 54.1 mtm180 -81.36 172.36 13.66 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.13 0.49 . . . . 0.0 111.184 -179.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 9.5 mmt-85 -70.25 -11.1 60.67 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.113 -0.948 . . . . 0.0 110.128 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.428 ' O ' ' CB ' ' A' ' 64' ' ' ASN . 96.7 m-20 -96.81 4.67 51.6 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.95 -179.755 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.428 ' CB ' ' O ' ' A' ' 63' ' ' ASP . 2.2 m-20 80.63 0.65 1.87 Allowed 'General case' 0 C--N 1.341 0.234 0 CA-C-O 120.776 0.322 . . . . 0.0 110.668 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 11.6 p -86.66 132.51 33.86 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.176 179.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -80.19 133.01 35.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.525 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -128.83 119.64 24.85 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.826 0.346 . . . . 0.0 110.17 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -82.41 136.26 34.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.605 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -106.43 163.81 12.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.825 179.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.591 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 0.0 OUTLIER -96.83 133.12 41.84 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.825 -179.804 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 22.7 pttt -71.75 -21.41 61.75 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.408 0.623 . . . . 0.0 110.542 179.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.53 147.2 47.95 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.373 -0.531 . . . . 0.0 109.924 -179.193 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.817 HH21 ' N ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -109.69 108.57 19.0 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-O 121.181 0.515 . . . . 0.0 110.817 -179.533 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -134.54 30.09 3.52 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.084 179.204 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . 0.645 ' N ' ' CZ2' ' A' ' 17' ' ' TRP . 0.0 OUTLIER -74.16 142.53 45.47 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 119.989 -0.684 . . . . 0.0 110.368 178.76 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.445 ' C ' ' N ' ' A' ' 78' ' ' LYS . 13.9 mm-40 -119.88 165.82 14.11 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.035 0.445 . . . . 0.0 110.869 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -49.56 -16.9 0.25 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.822 -179.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.445 ' N ' ' C ' ' A' ' 76' ' ' GLU . 0.0 OUTLIER -65.49 -35.17 80.1 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-O 121.129 0.49 . . . . 0.0 110.397 178.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.531 ' O ' ' CG2' ' A' ' 83' ' ' VAL . 1.5 tp10 -81.14 -38.02 27.86 Favored 'General case' 0 C--O 1.222 -0.374 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 66.5 t -58.01 -39.3 71.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 C-N-CA 120.347 -0.541 . . . . 0.0 110.472 179.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 64.2 m170 -70.99 -43.01 68.89 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -178.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.77 -20.95 34.88 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 120.726 -0.39 . . . . 0.0 111.18 -179.033 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.531 ' CG2' ' O ' ' A' ' 79' ' ' GLU . 44.1 t -74.47 130.8 35.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.37 0.605 . . . . 0.0 111.465 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.589 ' O ' ' NE2' ' A' ' 28' ' ' GLN . 21.3 pttm -114.87 128.5 56.33 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.032 179.307 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 20.6 t -108.31 130.83 60.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.929 0.395 . . . . 0.0 110.958 -178.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.439 ' CD1' ' O ' ' A' ' 86' ' ' TYR . 0.3 OUTLIER -83.34 157.99 22.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.009 -179.831 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 4.0 p -127.04 131.23 71.07 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 CA-C-O 121.072 0.463 . . . . 0.0 110.173 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 9.3 p90 . . . . . 0 C--O 1.219 -0.514 0 CA-C-O 117.87 -1.062 . . . . 0.0 110.364 -179.842 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' -2' ' ' SER . . . . . . . . 0 N--CA 1.491 2.33 0 N-CA-C 109.481 -1.448 . . . . 0.0 109.481 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -2' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' -3' ' ' GLY . 0.0 OUTLIER 53.65 171.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.827 0.346 . . . . 0.0 110.525 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 34.2 p80 -156.29 162.71 40.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.428 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 11.8 mtt -117.97 160.17 21.92 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.612 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.0 ptt? -158.52 159.6 35.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.609 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -58.23 143.89 42.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.527 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 61.6 p -77.28 162.62 27.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.525 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 82.4 p -79.63 -12.51 59.82 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.693 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -93.0 92.0 7.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.463 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 81.3 t -117.57 120.79 65.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.292 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -73.9 148.77 87.34 Favored Pre-proline 0 C--N 1.324 -0.5 0 C-N-CA 120.337 -0.545 . . . . 0.0 111.017 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -68.53 152.94 74.63 Favored 'Trans proline' 0 N--CA 1.495 1.599 0 C-N-CA 122.373 2.049 . . . . 0.0 112.47 179.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -105.49 -32.69 8.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.593 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 45.3 m -159.63 165.59 32.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.687 179.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.5 mp -133.54 134.81 56.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.643 179.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 41.2 t -122.74 176.22 6.08 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.397 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? -113.21 129.74 56.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.507 -179.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.45 150.63 48.03 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.811 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -115.36 13.6 16.61 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 179.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.73 ' CD ' ' H ' ' A' ' 17' ' ' TRP . 55.6 tptt -172.43 172.71 4.31 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.039 177.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.73 ' H ' ' CD ' ' A' ' 16' ' ' LYS . 59.5 t90 -97.33 123.88 41.28 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.41 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.41 ' O ' ' N ' ' A' ' 21' ' ' ILE . 93.7 p -152.68 155.46 37.31 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.067 179.099 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -44.96 -25.32 0.3 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.225 -179.243 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -69.64 -42.38 74.36 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 179.083 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.41 ' N ' ' O ' ' A' ' 18' ' ' SER . 19.0 mm -73.03 -58.84 4.13 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.468 0 C-N-CA 120.678 -0.409 . . . . 0.0 110.01 -179.342 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.479 ' CD ' ' NE ' ' A' ' 73' ' ' ARG . 35.0 tp10 -47.23 -48.3 24.34 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.219 -0.592 . . . . 0.0 110.539 -178.268 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -56.67 -47.71 79.23 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.6 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 73.5 mt -59.92 -40.16 87.9 Favored 'General case' 0 CA--C 1.511 -0.548 0 C-N-CA 120.309 -0.557 . . . . 0.0 110.152 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -60.76 -49.0 79.25 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.171 -0.611 . . . . 0.0 110.169 178.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.417 HH21 ' HE ' ' A' ' 73' ' ' ARG . 96.6 mtt180 -61.43 -45.72 93.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.231 -179.496 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -63.69 -49.13 74.34 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.98 0.419 . . . . 0.0 110.484 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -58.62 -39.79 81.49 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.1 -179.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -60.55 -42.77 97.26 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.645 -0.422 . . . . 0.0 109.909 178.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.2 -16.24 61.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.351 179.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 100.47 3.31 55.38 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 111.515 -0.634 . . . . 0.0 111.515 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.533 ' CE2' ' O ' ' A' ' 60' ' ' GLN . 11.2 m-30 -94.02 146.42 23.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.459 0.647 . . . . 0.0 110.109 -179.609 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.635 ' NE ' ' N ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -79.91 -42.07 24.84 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.437 -178.642 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.535 ' CG ' ' H ' ' A' ' 35' ' ' GLU . 18.7 t70 -170.45 179.8 3.24 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.698 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.535 ' H ' ' CG ' ' A' ' 34' ' ' ASP . 99.1 mt-10 -46.3 -27.83 1.14 Allowed 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.502 -179.259 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 90.2 mt -58.63 -48.65 85.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.992 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 50.2 tp10 -67.56 -42.84 81.95 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.323 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -59.08 -46.84 87.26 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.415 -0.514 . . . . 0.0 111.122 -178.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.53 ' O ' ' N ' ' A' ' 43' ' ' GLN . 60.8 mttp -61.38 -39.63 91.36 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.859 0.362 . . . . 0.0 110.853 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -62.55 -42.58 99.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.601 179.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 67.1 t -64.08 -43.68 97.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 120.81 0.338 . . . . 0.0 110.628 -179.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.467 ' N ' ' CD ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -91.11 -4.34 56.31 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.539 -179.58 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.53 ' N ' ' O ' ' A' ' 39' ' ' LYS . 14.5 mm100 52.41 48.12 23.28 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.613 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 23.5 m -123.5 -172.23 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.417 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -133.91 20.56 3.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.817 -179.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.437 ' SD ' ' C ' ' A' ' 46' ' ' MET . 4.1 ppp? -158.62 152.79 23.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.726 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.453 ' CG2' ' HZ2' ' A' ' 39' ' ' LYS . 19.4 t -111.07 136.9 45.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.204 -179.685 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -75.52 124.03 26.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.502 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.547 ' NE ' ' O ' ' A' ' 54' ' ' GLY . 29.4 mtp180 -143.56 169.92 16.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.733 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.432 ' O ' ' N ' ' A' ' 54' ' ' GLY . 89.0 m95 -96.32 143.21 25.72 Favored Pre-proline 0 C--O 1.219 -0.506 0 C-N-CA 120.363 -0.535 . . . . 0.0 111.23 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -66.41 -27.76 46.9 Favored 'Trans proline' 0 N--CA 1.497 1.697 0 C-N-CA 122.09 1.86 . . . . 0.0 112.579 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -53.63 -53.59 49.73 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.936 -178.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.523 ' OG1' ' CD2' ' A' ' 55' ' ' TYR . 76.3 p -124.96 -27.6 3.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.287 -179.717 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.547 ' O ' ' NE ' ' A' ' 49' ' ' ARG . . . 93.87 19.21 34.8 Favored Glycine 0 CA--C 1.521 0.442 0 C-N-CA 120.174 -1.013 . . . . 0.0 111.317 -179.41 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.523 ' CD2' ' OG1' ' A' ' 53' ' ' THR . 27.4 m-85 -82.56 153.59 25.44 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.503 -0.479 . . . . 0.0 110.942 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 32.7 t -57.26 125.62 13.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.984 -178.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.421 ' CD ' ' CZ2' ' A' ' 50' ' ' TRP . 25.8 ttpp -75.32 -48.62 22.26 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.074 179.707 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -144.81 146.72 32.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.197 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.6 tp -144.66 133.13 21.97 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.183 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.533 ' O ' ' CE2' ' A' ' 32' ' ' TYR . 21.9 tt0 -84.76 132.66 34.41 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.124 0.487 . . . . 0.0 111.146 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.3 mtm180 -76.92 170.44 16.49 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.791 -179.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 17.9 ttt180 -67.87 -7.65 29.86 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.943 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -99.25 8.75 44.49 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.179 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 76.6 -4.77 2.3 Favored 'General case' 0 CA--C 1.521 -0.151 0 CA-C-O 120.907 0.384 . . . . 0.0 110.586 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 19.0 p -78.52 128.92 34.23 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.414 179.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -75.09 126.93 32.05 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.301 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -119.44 115.58 24.37 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.219 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 -82.52 137.48 34.59 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.431 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -108.86 152.87 24.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.751 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -97.49 134.75 40.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.866 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.9 pttp -76.22 -28.65 57.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.163 0.506 . . . . 0.0 110.27 179.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -71.65 56.96 0.28 Allowed 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.192 -0.603 . . . . 0.0 110.242 179.316 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.479 ' NE ' ' CD ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -37.18 135.03 0.53 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.617 -179.314 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -131.46 40.9 3.37 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.717 179.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . 0.548 ' SG ' ' CD1' ' A' ' 17' ' ' TRP . 0.0 OUTLIER -89.76 145.7 25.01 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.619 179.498 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.453 ' N ' ' SG ' ' A' ' 75' ' ' CYS . 76.3 mm-40 -129.86 173.66 10.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.577 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.484 ' OD1' ' N ' ' A' ' 78' ' ' LYS . 51.4 p-10 -48.6 -23.2 0.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.297 -179.063 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.484 ' N ' ' OD1' ' A' ' 77' ' ' ASP . 56.3 mtmt -64.28 -36.82 85.35 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.755 178.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -81.1 -32.31 33.92 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.52 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 53.6 t -56.84 -45.09 83.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -69.67 -40.85 76.18 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.149 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.77 -28.8 64.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.787 0.327 . . . . 0.0 110.97 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 90.1 t -89.02 137.22 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 26.3 mttm -110.32 161.33 15.73 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.28 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.6 t -118.48 125.17 74.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-O 120.845 0.355 . . . . 0.0 110.173 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.599 ' CD1' ' O ' ' A' ' 86' ' ' TYR . 0.2 OUTLIER -90.03 144.02 26.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.818 -179.524 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.2 m -130.14 121.03 50.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.147 0.499 . . . . 0.0 110.8 179.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 44.0 p90 . . . . . 0 C--O 1.219 -0.525 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.338 179.871 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.249 0 N-CA-C 109.49 -1.444 . . . . 0.0 109.49 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 66.5 m -67.81 146.15 53.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.906 0.384 . . . . 0.0 110.678 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 30.4 t60 49.39 37.42 11.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.626 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 13.2 mtp -139.65 -171.93 3.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.427 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.4 mmm -129.11 150.38 50.52 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-O 121.44 0.638 . . . . 0.0 110.652 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.442 ' O ' ' CB ' ' A' ' 3' ' ' THR . . . -57.3 140.8 48.95 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.446 -179.74 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.442 ' CB ' ' O ' ' A' ' 2' ' ' ALA . 0.3 OUTLIER 78.48 -36.94 0.2 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.576 -179.908 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.435 ' H ' ' C ' ' A' ' 2' ' ' ALA . 75.2 m -70.13 -28.54 65.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.527 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 57.9 p30 -94.48 16.73 14.57 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.937 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 59.8 t -105.54 125.54 60.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.985 0.421 . . . . 0.0 110.407 -179.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -108.01 158.98 32.18 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.69 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -54.8 155.05 18.91 Favored 'Trans proline' 0 C--N 1.306 -1.7 0 C-N-CA 122.878 2.385 . . . . 0.0 112.145 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 33.6 tptt -87.96 -42.89 12.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.733 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 49.6 m -162.27 171.26 17.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.062 0.458 . . . . 0.0 110.679 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.1 mp -130.87 128.69 63.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.333 179.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.7 m -123.34 178.42 5.15 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.364 -179.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.48 135.47 53.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.838 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.28 152.87 44.02 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.728 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.449 ' CB ' ' HZ2' ' A' ' 15' ' ' LYS . 5.2 ttpm? -95.19 -40.64 9.48 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 120.784 0.326 . . . . 0.0 111.0 -179.758 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -147.29 150.36 34.64 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.616 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.471 ' CD1' ' SG ' ' A' ' 75' ' ' CYS . 53.4 t90 -53.28 135.69 38.13 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.53 -179.629 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 m -163.33 161.49 24.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.538 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -46.7 -35.36 5.98 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.403 -179.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -66.65 -43.76 83.74 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.354 179.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.6 mm -71.02 -59.18 3.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 -179.411 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.411 ' CD ' ' N ' ' A' ' 23' ' ' ASN . 3.5 tm-20 -40.33 -51.49 2.77 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 123.418 0.449 . . . . 0.0 110.609 -179.056 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.411 ' N ' ' CD ' ' A' ' 22' ' ' GLU . 1.7 t30 -60.22 -49.25 78.36 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.335 -179.581 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 76.9 mt -58.2 -41.45 84.03 Favored 'General case' 0 CA--C 1.512 -0.493 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.295 -179.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -58.83 -49.61 77.07 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.222 178.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.535 ' NH1' ' O ' ' A' ' 56' ' ' VAL . 94.6 mtt180 -61.3 -46.11 91.66 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-O 121.421 0.629 . . . . 0.0 109.869 -179.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.428 ' CE2' ' C ' ' A' ' 34' ' ' ASP . 7.8 m-85 -63.35 -50.26 70.65 Favored 'General case' 0 C--N 1.321 -0.655 0 O-C-N 121.63 -0.669 . . . . 0.0 110.883 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -57.67 -47.28 82.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.829 -179.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.522 HE21 ' HH ' ' A' ' 69' ' ' TYR . 1.9 pp0? -62.48 -23.61 67.02 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.112 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.36 -16.87 31.85 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.988 -179.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 101.46 0.92 53.47 Favored Glycine 0 CA--C 1.528 0.897 0 N-CA-C 111.445 -0.662 . . . . 0.0 111.445 -179.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.525 ' CE1' ' O ' ' A' ' 60' ' ' GLN . 2.8 m-85 -97.56 148.54 23.16 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 -178.762 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.525 ' NH1' HH12 ' A' ' 62' ' ' ARG . 0.0 OUTLIER -83.13 -40.56 19.61 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.737 -179.8 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.499 ' N ' ' OD1' ' A' ' 34' ' ' ASP . 10.1 p-10 -169.97 179.31 3.64 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.384 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -45.75 -31.35 1.97 Allowed 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.785 -179.081 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 86.7 mt -56.54 -48.13 80.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 C-N-CA 120.672 -0.411 . . . . 0.0 111.315 -179.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -68.35 -41.4 80.74 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.884 -0.327 . . . . 0.0 111.145 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.436 ' C ' ' CD1' ' A' ' 38' ' ' TYR . 1.9 t80 -57.27 -50.14 73.86 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 119.979 -0.688 . . . . 0.0 111.003 -178.132 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.556 ' O ' ' N ' ' A' ' 43' ' ' GLN . 63.4 mttp -62.94 -40.89 99.04 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.527 -179.084 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -61.34 -45.32 94.89 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.394 -179.229 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 49.0 t -59.56 -44.0 92.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.577 -179.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.5 mmtp -97.66 1.08 48.26 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.127 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.556 ' N ' ' O ' ' A' ' 39' ' ' LYS . 26.1 mt-30 47.57 50.55 14.9 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.959 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 18.7 m -119.2 -170.32 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.366 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -146.51 31.27 0.99 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.714 -179.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 21.9 ptt? -162.05 145.04 11.75 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.692 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 39.5 t -118.79 131.02 72.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.236 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -71.84 127.39 32.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.457 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.467 ' CZ ' ' O ' ' A' ' 54' ' ' GLY . 33.1 mtp180 -142.72 167.05 23.01 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.411 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.524 ' O ' ' N ' ' A' ' 54' ' ' GLY . 77.0 m95 -97.79 138.5 21.03 Favored Pre-proline 0 C--O 1.217 -0.651 0 C-N-CA 120.119 -0.632 . . . . 0.0 110.801 -179.582 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -64.65 -27.58 60.82 Favored 'Trans proline' 0 C--N 1.303 -1.833 0 C-N-CA 122.439 2.093 . . . . 0.0 112.579 -179.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -55.07 -51.85 65.06 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.737 -178.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.1 p -122.72 -28.72 4.12 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.012 179.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 50' ' ' TRP . . . 89.5 22.18 38.08 Favored Glycine 0 N--CA 1.463 0.441 0 C-N-CA 120.605 -0.807 . . . . 0.0 111.516 -179.819 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -82.59 157.87 23.28 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.936 -0.305 . . . . 0.0 110.774 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.535 ' O ' ' NH1' ' A' ' 26' ' ' ARG . 57.4 t -56.23 125.34 11.6 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.132 -179.291 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 33.0 tttm -73.63 -46.93 43.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.128 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 61.5 pttt -154.34 153.53 31.81 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.027 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -148.14 130.95 16.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.932 179.617 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.525 ' O ' ' CE1' ' A' ' 32' ' ' TYR . 30.6 tt0 -78.28 133.81 37.61 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.048 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 21.8 mtm180 -76.9 166.83 22.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.064 -179.424 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.525 HH12 ' NH1' ' A' ' 33' ' ' ARG . 11.8 ttt180 -67.0 -7.46 22.66 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.368 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -98.78 7.79 45.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.925 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 72.36 36.33 1.06 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.597 0.237 . . . . 0.0 111.227 179.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 32.2 p -120.49 130.7 54.39 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.071 179.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -79.42 123.05 27.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.554 -179.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -119.19 123.25 43.88 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.341 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -88.98 132.91 34.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.434 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.522 ' HH ' HE21 ' A' ' 29' ' ' GLN . 73.9 m-85 -103.15 157.73 16.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.843 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.41 HD22 ' HB2' ' A' ' 72' ' ' GLU . 5.5 t30 -99.06 118.93 36.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.997 179.422 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.1 pttm -55.19 -32.02 61.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.996 0.427 . . . . 0.0 110.625 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 73' ' ' ARG . 99.2 mt-10 -82.52 57.66 3.81 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 179.562 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.473 ' HG2' HH21 ' A' ' 26' ' ' ARG . 0.0 OUTLIER -31.69 136.47 0.06 Allowed 'General case' 0 C--O 1.231 0.096 0 O-C-N 123.666 0.604 . . . . 0.0 111.091 -179.583 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -118.01 34.75 5.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.811 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . 0.471 ' SG ' ' CD1' ' A' ' 17' ' ' TRP . 0.0 OUTLIER -89.73 147.97 23.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.388 179.694 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.429 ' N ' ' SG ' ' A' ' 75' ' ' CYS . 99.0 mt-10 -129.65 173.7 10.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.735 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.43 ' OD1' ' ND1' ' A' ' 81' ' ' HIS . 60.7 t0 -45.71 -23.41 0.25 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.288 -179.576 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.4 ttpp -67.64 -33.03 74.15 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.951 179.405 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.516 ' O ' ' CG2' ' A' ' 83' ' ' VAL . 1.8 mp0 -81.4 -35.21 31.0 Favored 'General case' 0 C--O 1.219 -0.541 0 CA-C-O 121.153 0.501 . . . . 0.0 110.666 179.757 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 33.7 t -61.58 -43.28 96.72 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 C-N-CA 120.246 -0.582 . . . . 0.0 110.112 -179.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.43 ' ND1' ' OD1' ' A' ' 77' ' ' ASP . 35.2 m80 -66.51 -44.12 83.4 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.48 -21.86 55.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.951 0.405 . . . . 0.0 111.186 179.723 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.516 ' CG2' ' O ' ' A' ' 79' ' ' GLU . 54.6 t -82.35 136.55 22.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.136 179.287 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -106.36 157.87 17.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.177 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 31.6 t -127.15 120.28 54.91 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.135 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -87.05 147.84 25.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.808 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 5.0 p -128.75 129.14 68.36 Favored 'Isoleucine or valine' 0 C--O 1.232 0.173 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.462 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 7.5 p90 . . . . . 0 C--O 1.219 -0.536 0 CA-C-O 118.079 -0.963 . . . . 0.0 110.462 179.73 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.272 0 N-CA-C 109.549 -1.421 . . . . 0.0 109.549 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 40.2 t -62.45 141.25 58.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.712 0.292 . . . . 0.0 110.482 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -60.05 -45.82 91.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.525 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 2.7 ttm -137.34 -78.91 0.39 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.58 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.4 tpt -155.02 128.91 8.71 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.422 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -77.62 146.52 36.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.655 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 67.4 p -70.7 -27.54 64.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.48 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.4 t 62.3 68.62 0.66 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.709 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 57.0 p30 -78.82 166.05 22.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.44 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 76.6 t -119.57 122.58 69.22 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.675 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -88.32 155.48 51.62 Favored Pre-proline 0 N--CA 1.448 -0.53 0 C-N-CA 120.564 -0.454 . . . . 0.0 110.606 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_exo -55.47 156.46 17.64 Favored 'Trans proline' 0 N--CA 1.494 1.513 0 C-N-CA 122.728 2.285 . . . . 0.0 112.255 179.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.8 ttpp -84.55 -33.28 23.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.405 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.5 m -171.58 177.71 3.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.737 -179.291 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.7 mp -133.99 131.7 55.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.007 179.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.6 t -124.37 -179.7 4.57 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.522 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 -114.82 134.23 55.3 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.064 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.52 152.1 26.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.533 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 69.4 mttt -100.64 -42.98 6.31 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.808 -179.013 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -147.41 150.34 34.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.715 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.741 ' CD2' ' NH1' ' A' ' 73' ' ' ARG . 61.0 t90 -52.73 135.62 34.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.815 179.777 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -164.41 161.41 21.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.358 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -48.68 -37.47 18.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.513 -179.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -68.31 -43.94 76.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.855 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.4 ' O ' ' C ' ' A' ' 22' ' ' GLU . 8.1 mm -70.94 -60.25 2.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.273 -179.603 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.51 ' OE1' ' CZ ' ' A' ' 55' ' ' TYR . 88.2 tt0 -40.46 -47.99 2.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.268 -179.383 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -61.33 -48.93 79.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.204 179.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 68.3 mt -58.42 -39.27 79.32 Favored 'General case' 0 CA--C 1.512 -0.506 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.739 -179.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.599 ' CD2' ' SG ' ' A' ' 75' ' ' CYS . 36.1 t80 -58.39 -50.02 75.17 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.263 178.564 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.519 ' NH2' ' O ' ' A' ' 70' ' ' ASN . 94.0 mtt180 -62.12 -45.58 92.86 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 -179.607 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -60.67 -51.78 67.91 Favored 'General case' 0 CA--C 1.527 0.09 0 CA-C-N 116.493 -0.322 . . . . 0.0 110.319 179.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.549 ' NE2' ' O ' ' A' ' 84' ' ' LYS . 65.1 mt-30 -56.16 -41.63 75.73 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.124 -179.583 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 52.3 mm-40 -60.59 -41.81 95.45 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.753 178.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.514 ' O ' ' N ' ' A' ' 62' ' ' ARG . . . -72.48 -18.4 61.68 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.907 0.384 . . . . 0.0 110.453 179.461 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.433 ' O ' ' NE ' ' A' ' 62' ' ' ARG . . . 105.56 0.22 40.01 Favored Glycine 0 CA--C 1.527 0.817 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.535 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.529 ' CE2' ' O ' ' A' ' 60' ' ' GLN . 13.4 m-85 -95.74 148.88 22.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.078 0.466 . . . . 0.0 110.66 179.729 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.0 -39.13 15.95 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.764 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.432 ' CG ' ' H ' ' A' ' 35' ' ' GLU . 39.0 t0 -166.33 173.62 9.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.699 -179.668 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.432 ' H ' ' CG ' ' A' ' 34' ' ' ASP . 15.4 pt-20 -44.12 -30.66 0.79 Allowed 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.954 -179.2 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 95.0 mt -57.68 -48.72 82.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 C-N-CA 120.737 -0.385 . . . . 0.0 111.063 -178.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -69.12 -44.18 72.9 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.932 0.396 . . . . 0.0 111.397 -179.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.44 ' CD1' ' O ' ' A' ' 38' ' ' TYR . 2.0 t80 -59.54 -49.78 76.45 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-O 121.55 0.691 . . . . 0.0 110.801 -178.269 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.593 ' O ' ' N ' ' A' ' 43' ' ' GLN . 58.1 mtpt -60.06 -38.78 83.84 Favored 'General case' 0 C--O 1.222 -0.345 0 O-C-N 122.083 -0.386 . . . . 0.0 110.618 -178.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -64.21 -39.39 93.88 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.821 0.344 . . . . 0.0 110.455 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 64.2 t -59.14 -45.36 92.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.802 -178.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.435 ' HZ2' ' CB ' ' A' ' 60' ' ' GLN . 41.8 mmtm -102.65 -0.28 32.1 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.043 179.726 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.593 ' N ' ' O ' ' A' ' 39' ' ' LYS . 45.4 tt0 46.99 67.63 0.76 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.669 -179.564 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.1 m -119.51 -163.5 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.456 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -123.14 -33.87 3.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.733 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.5 mmt -134.92 160.68 37.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.825 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 97.2 t -104.37 142.04 18.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.443 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -74.48 118.45 17.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.935 0.398 . . . . 0.0 110.263 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 25.6 mtp85 -137.54 172.54 12.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.295 -179.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 73.8 m95 -101.53 143.01 25.75 Favored Pre-proline 0 C--O 1.221 -0.422 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.033 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -66.7 -26.79 45.47 Favored 'Trans proline' 0 C--N 1.303 -1.853 0 C-N-CA 122.506 2.137 . . . . 0.0 112.395 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -54.48 -53.46 54.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.971 -178.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.584 ' OG1' ' CD2' ' A' ' 55' ' ' TYR . 75.1 p -125.17 -32.09 3.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.954 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 97.43 25.25 11.13 Favored Glycine 0 C--O 1.224 -0.485 0 C-N-CA 120.658 -0.782 . . . . 0.0 111.234 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.584 ' CD2' ' OG1' ' A' ' 53' ' ' THR . 23.1 m-85 -85.51 161.78 19.21 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-O 120.604 0.24 . . . . 0.0 110.641 179.372 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 38.9 t -63.42 125.59 20.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.482 -178.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 75.5 tttt -78.26 -51.21 10.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.679 179.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 63.5 pttt -137.88 143.83 41.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.116 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 9.1 tp -147.9 128.27 13.95 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.529 ' O ' ' CE2' ' A' ' 32' ' ' TYR . 24.6 tt0 -80.78 132.65 35.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.693 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 7.3 mtm180 -76.96 166.79 22.85 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.8 -179.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.514 ' N ' ' O ' ' A' ' 30' ' ' ALA . 7.7 mtt-85 -65.58 -7.0 12.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.491 179.629 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.418 ' O ' ' CB ' ' A' ' 64' ' ' ASN . 96.5 m-20 -99.07 6.76 46.43 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.693 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.418 ' CB ' ' O ' ' A' ' 63' ' ' ASP . 2.5 m-20 78.27 -2.74 2.38 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-O 120.884 0.373 . . . . 0.0 110.639 179.758 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 23.9 p -81.01 127.64 32.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.404 179.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -76.12 127.97 34.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.469 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -125.68 116.89 22.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.297 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -81.84 139.06 34.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.419 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -108.55 157.96 17.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.835 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.519 ' O ' ' NH2' ' A' ' 26' ' ' ARG . 2.3 p-10 -99.76 138.76 36.4 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.686 179.649 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 40.1 pttt -82.38 -11.64 58.43 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.82 179.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.808 ' O ' ' O ' ' A' ' 73' ' ' ARG . 96.6 mt-10 -85.04 58.71 5.19 Favored 'General case' 0 CA--C 1.509 -0.6 0 CA-C-O 118.956 -0.545 . . . . 0.0 110.952 -178.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.808 ' O ' ' O ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER 35.58 127.64 0.0 OUTLIER 'General case' 0 N--CA 1.447 -0.604 0 O-C-N 124.259 0.974 . . . . 0.0 111.019 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -127.06 -24.58 3.42 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.686 177.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . 0.599 ' SG ' ' CD2' ' A' ' 25' ' ' TYR . 69.4 m -79.66 130.07 35.03 Favored 'General case' 0 C--O 1.215 -0.746 0 CA-C-O 120.991 0.424 . . . . 0.0 111.649 -179.484 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.425 ' O ' ' OE1' ' A' ' 79' ' ' GLU . 62.2 mm-40 -116.02 165.61 12.92 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.639 179.641 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -44.38 -31.56 1.09 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.323 -179.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -63.47 -31.43 72.59 Favored 'General case' 0 C--O 1.24 0.603 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.75 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.513 ' O ' ' CG2' ' A' ' 83' ' ' VAL . 47.4 mp0 -78.21 -35.72 48.16 Favored 'General case' 0 C--O 1.213 -0.847 0 CA-C-O 121.164 0.506 . . . . 0.0 110.692 179.404 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 55.3 t -57.07 -47.17 84.18 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.914 0 C-N-CA 120.178 -0.609 . . . . 0.0 110.139 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 16.6 t-160 -62.02 -46.92 87.08 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.385 -0.526 . . . . 0.0 111.862 -178.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.416 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -77.9 -25.06 48.26 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.675 -0.41 . . . . 0.0 111.821 -179.748 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.513 ' CG2' ' O ' ' A' ' 79' ' ' GLU . 24.0 t -71.26 132.19 33.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.26 -179.769 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.549 ' O ' ' NE2' ' A' ' 28' ' ' GLN . 29.8 mtmm -109.51 123.73 49.88 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.969 179.157 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 21.8 t -95.64 121.18 45.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.918 0.39 . . . . 0.0 110.656 -179.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.501 ' CD1' ' O ' ' A' ' 86' ' ' TYR . 0.4 OUTLIER -81.77 149.7 28.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.595 -179.931 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 8.8 m -126.27 137.4 57.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.656 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 50.4 p90 . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 117.911 -1.042 . . . . 0.0 110.512 179.755 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . 0.515 ' C ' ' H ' ' A' ' -1' ' ' HIS . . . . . . . . 0 N--CA 1.49 2.295 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 1.4 t 68.31 -8.49 0.58 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.822 0.344 . . . . 0.0 110.663 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . 0.515 ' H ' ' C ' ' A' ' -3' ' ' GLY . 86.4 t60 -62.25 -44.49 96.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.667 179.574 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 8.4 ttm -41.79 113.84 0.47 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.77 -179.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ptt? -158.64 158.83 34.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.608 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.593 ' O ' ' C ' ' A' ' 3' ' ' THR . . . -62.73 139.08 58.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.148 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.593 ' C ' ' O ' ' A' ' 2' ' ' ALA . 0.1 OUTLIER -11.96 -87.2 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.229 0 O-C-N 124.238 0.961 . . . . 0.0 111.02 -179.756 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.507 ' N ' ' OG1' ' A' ' 3' ' ' THR . 50.1 m -131.51 32.92 4.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.673 179.097 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -135.42 166.91 22.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.638 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 96.0 t -116.59 125.78 73.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.542 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -111.33 150.25 41.79 Favored Pre-proline 0 C--N 1.332 -0.189 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.584 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -65.3 140.51 64.54 Favored 'Trans proline' 0 C--N 1.307 -1.616 0 C-N-CA 122.71 2.274 . . . . 0.0 112.173 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.454 ' NZ ' ' OXT' ' A' ' 88' ' ' TYR . 0.1 OUTLIER -104.21 -24.52 13.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.625 179.863 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 72.1 m -167.62 174.63 7.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.658 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.3 mp -135.69 134.87 51.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.79 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 20.6 t -115.48 178.57 4.25 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.451 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.43 127.56 55.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.676 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.55 146.71 53.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.553 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.5 mmtm -103.88 -40.74 6.12 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.158 179.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.91 ' CD ' ' H ' ' A' ' 17' ' ' TRP . 0.4 OUTLIER -125.86 175.2 7.82 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.115 178.899 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.91 ' H ' ' CD ' ' A' ' 16' ' ' LYS . 64.4 t90 -95.89 131.96 41.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.207 178.645 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 21' ' ' ILE . 50.4 m -159.97 159.84 32.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.754 179.59 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.2 pt-20 -44.13 -28.37 0.49 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.231 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -68.22 -44.0 76.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.384 179.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.425 ' N ' ' O ' ' A' ' 18' ' ' SER . 8.4 mm -72.44 -60.95 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.283 -0.417 . . . . 0.0 109.898 -179.423 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.47 ' CD ' ' N ' ' A' ' 23' ' ' ASN . 2.3 tm-20 -39.87 -51.13 2.46 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.589 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.47 ' N ' ' CD ' ' A' ' 22' ' ' GLU . 1.5 t30 -58.15 -49.63 76.31 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.031 -179.356 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 75.9 mt -57.82 -40.92 81.13 Favored 'General case' 0 CA--C 1.513 -0.468 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.476 -179.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -59.32 -49.15 78.95 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 178.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.682 ' HE ' HH12 ' A' ' 73' ' ' ARG . 95.0 mtt180 -61.48 -47.22 86.65 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.0 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -61.29 -50.48 72.83 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-O 120.858 0.361 . . . . 0.0 110.568 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -57.08 -41.7 79.3 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.884 -179.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.462 ' O ' ' NH1' ' A' ' 62' ' ' ARG . 80.4 mm-40 -61.37 -39.8 91.96 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.809 0.338 . . . . 0.0 110.489 178.509 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.16 -16.33 61.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.367 179.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 102.89 7.31 44.63 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.561 -0.615 . . . . 0.0 111.561 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -108.6 151.51 26.03 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.818 0.342 . . . . 0.0 110.507 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.04 -39.02 16.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.114 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -170.61 179.87 3.15 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.507 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -40.8 -36.18 0.59 Allowed 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.376 -179.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 94.4 mt -48.01 -62.3 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 C-N-CA 120.789 -0.364 . . . . 0.0 111.375 -179.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.445 ' OE1' ' CG2' ' A' ' 41' ' ' VAL . 1.1 tm-20 -65.03 -48.37 74.09 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.861 -0.335 . . . . 0.0 111.58 -179.126 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.448 ' C ' ' CD1' ' A' ' 38' ' ' TYR . 1.7 t80 -53.21 -51.17 63.0 Favored 'General case' 0 N--CA 1.444 -0.733 0 C-N-CA 120.098 -0.641 . . . . 0.0 110.779 -177.602 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.604 ' O ' ' N ' ' A' ' 43' ' ' GLN . 29.3 mttp -61.73 -42.41 98.93 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 120.891 -0.323 . . . . 0.0 110.773 -179.621 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -62.19 -40.7 96.94 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.934 -179.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.445 ' CG2' ' OE1' ' A' ' 37' ' ' GLU . 76.6 t -60.11 -46.23 94.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.958 -178.709 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 64.8 mmtt -103.95 7.52 36.7 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.853 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.604 ' N ' ' O ' ' A' ' 39' ' ' LYS . 94.0 mt-30 44.73 54.73 6.42 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.609 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 18.9 m -125.26 -170.6 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.621 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -142.97 -36.44 0.38 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 29.7 mmm -95.08 129.32 42.21 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.147 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.0 t -107.89 134.97 48.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.284 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -71.49 123.43 22.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.811 0.339 . . . . 0.0 110.488 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.53 ' NE ' ' O ' ' A' ' 54' ' ' GLY . 33.2 mtp180 -141.76 164.29 30.6 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.478 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.476 ' O ' ' N ' ' A' ' 54' ' ' GLY . 75.0 m95 -93.86 139.21 22.61 Favored Pre-proline 0 C--O 1.223 -0.313 0 C-N-CA 120.463 -0.495 . . . . 0.0 110.945 -179.691 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -64.25 -29.57 64.15 Favored 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 122.587 2.191 . . . . 0.0 112.546 -179.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -49.68 -50.8 42.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.418 -178.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.522 ' OG1' ' CD2' ' A' ' 55' ' ' TYR . 21.3 p -128.47 -31.69 2.25 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.978 179.547 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.53 ' O ' ' NE ' ' A' ' 49' ' ' ARG . . . 97.09 23.71 14.31 Favored Glycine 0 C--O 1.227 -0.317 0 N-CA-C 111.283 -0.727 . . . . 0.0 111.283 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.522 ' CD2' ' OG1' ' A' ' 53' ' ' THR . 28.9 m-85 -81.58 158.53 24.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.627 0.251 . . . . 0.0 110.563 179.644 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 48.5 t -59.68 124.71 14.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.836 -179.386 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 44.0 tttm -75.92 -47.02 26.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.055 179.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -145.26 145.79 31.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.234 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.2 tp -146.36 127.01 14.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.969 0.414 . . . . 0.0 110.648 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -81.47 132.88 35.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.419 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 7.9 mtt180 -75.3 171.54 14.02 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.221 0.534 . . . . 0.0 110.706 -179.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.606 ' H ' ' CD ' ' A' ' 62' ' ' ARG . 0.1 OUTLIER -68.22 -11.27 59.03 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.349 179.029 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -94.97 8.37 43.07 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.652 -179.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 18.3 m-20 70.41 37.43 1.54 Allowed 'General case' 0 C--N 1.329 -0.288 0 O-C-N 123.535 0.522 . . . . 0.0 110.839 179.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 21.6 p -118.69 126.53 52.11 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.649 179.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -73.65 120.16 18.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.334 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -119.85 118.02 29.68 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.299 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -82.12 137.03 35.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.49 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -107.71 152.11 24.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.864 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.447 ' O ' ' NH2' ' A' ' 26' ' ' ARG . 8.9 t30 -94.21 125.81 39.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.994 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 21.6 pttm -68.08 -33.13 73.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.33 0.586 . . . . 0.0 110.614 179.265 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 73' ' ' ARG . 90.7 mt-10 -71.57 58.3 0.29 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.88 179.66 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.682 HH12 ' HE ' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -33.35 138.09 0.07 Allowed 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.529 -179.734 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -134.57 38.73 3.06 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 179.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 92.9 m -89.5 149.68 22.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.458 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -132.5 177.08 7.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.718 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -47.76 -21.48 0.4 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.058 -179.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -66.61 -34.59 78.21 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.781 179.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.518 ' O ' ' CG2' ' A' ' 83' ' ' VAL . 0.5 OUTLIER -79.72 -32.66 41.25 Favored 'General case' 0 C--O 1.22 -0.499 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.446 -179.607 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 72.5 t -60.71 -46.39 96.01 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 C-N-CA 120.357 -0.537 . . . . 0.0 110.369 179.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 60.7 t-80 -65.42 -45.99 81.74 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -178.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.02 -20.4 59.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.74 -179.536 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.518 ' CG2' ' O ' ' A' ' 79' ' ' GLU . 73.8 t -89.1 134.62 27.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.899 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -105.32 160.2 15.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.169 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 8.5 t -124.92 117.75 51.1 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.111 0 CA-C-O 120.857 0.36 . . . . 0.0 110.374 -179.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.585 ' CD1' ' O ' ' A' ' 86' ' ' TYR . 0.4 OUTLIER -75.09 144.1 43.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.489 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.6 m -128.39 126.8 66.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.048 0.452 . . . . 0.0 110.818 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.454 ' OXT' ' NZ ' ' A' ' 9' ' ' LYS . 38.4 p90 . . . . . 0 C--O 1.221 -0.418 0 CA-C-O 117.978 -1.01 . . . . 0.0 110.421 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.344 0 N-CA-C 109.534 -1.426 . . . . 0.0 109.534 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' -2' ' ' SER . . . . . 0.408 ' O ' ' SD ' ' A' ' 0' ' ' MET . 16.1 m 42.28 -134.01 0.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.84 0.352 . . . . 0.0 110.509 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 58.7 m170 -79.37 150.09 31.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.475 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 0' ' ' MET . . . . . 0.408 ' SD ' ' O ' ' A' ' -2' ' ' SER . 2.6 mpt? -126.45 -89.85 0.55 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.58 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.0 mtt -132.74 156.54 46.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.661 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.542 ' C ' ' H ' ' A' ' 4' ' ' SER . . . -57.49 127.6 32.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.558 -179.608 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.407 ' O ' ' O ' ' A' ' 4' ' ' SER . 47.8 p 49.14 9.95 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.776 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.542 ' H ' ' C ' ' A' ' 2' ' ' ALA . 23.2 t 38.71 -157.77 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.511 -179.788 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -136.11 98.47 3.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.374 179.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 85.1 t -118.33 130.08 73.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.795 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.4 mmtm -63.66 154.2 81.0 Favored Pre-proline 0 N--CA 1.45 -0.436 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.617 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -54.89 152.42 29.11 Favored 'Trans proline' 0 C--N 1.31 -1.464 0 C-N-CA 122.553 2.169 . . . . 0.0 112.266 -179.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 39.5 tttm -89.38 -43.16 11.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.295 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.8 m -164.02 172.35 13.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.769 -179.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.1 mp -133.37 123.22 46.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.353 179.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.9 m -135.39 137.14 42.02 Favored 'General case' 0 C--O 1.219 -0.533 0 C-N-CA 121.102 -0.239 . . . . 0.0 111.002 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -71.88 153.34 41.94 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.42 0.629 . . . . 0.0 109.891 -178.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.23 159.71 28.35 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.204 -179.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.81 -40.98 12.11 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 120.625 0.25 . . . . 0.0 110.417 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.1 tptt -133.52 -173.68 3.29 Favored 'General case' 0 C--O 1.226 -0.132 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.094 179.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.53 ' NE1' ' OE1' ' A' ' 22' ' ' GLU . 49.9 t90 -96.59 127.96 43.07 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.122 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 21.3 m -154.94 156.42 36.04 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.528 179.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -45.12 -28.99 0.82 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.314 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.48 ' OE1' ' N ' ' A' ' 20' ' ' GLU . 49.3 mp0 -69.58 -44.97 69.72 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.064 179.201 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.9 mm -72.52 -60.97 1.9 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.387 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.31 -179.199 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.544 ' CG ' ' NE ' ' A' ' 73' ' ' ARG . 4.0 tp10 -46.73 -46.37 20.24 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.388 -178.49 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -56.82 -49.9 74.0 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.58 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 75.2 mt -55.79 -39.95 72.0 Favored 'General case' 0 C--O 1.215 -0.729 0 C-N-CA 120.459 -0.496 . . . . 0.0 110.155 -179.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 93.1 t80 -63.3 -47.22 83.18 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.844 0.354 . . . . 0.0 110.247 178.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.424 ' O ' ' HG3' ' A' ' 29' ' ' GLN . 87.1 mtt180 -60.63 -46.86 88.71 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.329 -179.307 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -69.94 -46.57 65.04 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.932 0.396 . . . . 0.0 110.769 179.378 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -51.99 -50.62 60.95 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.833 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.447 ' CG ' ' OH ' ' A' ' 69' ' ' TYR . 0.0 OUTLIER -55.43 -18.59 7.23 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.115 0.483 . . . . 0.0 110.255 179.748 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -89.81 -17.99 27.11 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.9 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.528 ' O ' ' NH2' ' A' ' 62' ' ' ARG . . . 106.35 3.11 38.28 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.652 -0.579 . . . . 0.0 111.652 -179.758 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -105.75 146.27 30.04 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 120.954 0.407 . . . . 0.0 110.966 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.18 -35.01 31.93 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.296 179.795 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 46.6 p30 -157.0 166.53 33.09 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-O 121.044 0.449 . . . . 0.0 110.511 179.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -51.33 -27.89 10.82 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.845 -179.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 93.4 mt -58.25 -47.99 86.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.688 -178.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 33.2 tp10 -65.52 -38.88 90.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.93 0.395 . . . . 0.0 110.397 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -60.54 -47.49 85.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.586 179.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.566 ' O ' ' N ' ' A' ' 43' ' ' GLN . 98.3 mttt -60.23 -39.45 86.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.964 -178.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.411 ' O ' ' OE1' ' A' ' 43' ' ' GLN . 0.9 OUTLIER -61.45 -42.55 98.94 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.163 0.506 . . . . 0.0 110.45 -179.753 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 79.4 t -62.7 -42.54 96.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.155 -179.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.7 mmtt -96.37 -0.02 49.97 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.292 179.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.566 ' N ' ' O ' ' A' ' 39' ' ' LYS . 30.0 mm100 41.89 50.9 4.17 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.618 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.508 ' CG2' ' H ' ' A' ' 45' ' ' ALA . 8.0 m -102.26 -112.87 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.898 0.38 . . . . 0.0 110.749 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.508 ' H ' ' CG2' ' A' ' 44' ' ' VAL . . . 170.65 -24.89 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.666 -179.718 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.444 ' SD ' ' C ' ' A' ' 46' ' ' MET . 3.6 ppp? -141.67 152.02 43.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.319 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 19.4 t -109.44 136.6 44.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.299 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -61.86 129.45 41.02 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.542 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 91.1 mtt-85 -140.96 159.16 42.8 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.987 -179.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.541 ' O ' ' N ' ' A' ' 54' ' ' GLY . 67.9 m95 -92.55 138.13 24.06 Favored Pre-proline 0 C--O 1.216 -0.7 0 C-N-CA 120.222 -0.591 . . . . 0.0 110.635 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -64.11 -33.21 62.26 Favored 'Trans proline' 0 C--N 1.3 -2.008 0 C-N-CA 122.366 2.044 . . . . 0.0 112.49 -179.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -51.67 -50.56 60.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.233 -178.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 13.1 p -123.05 -30.02 3.82 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.816 0.341 . . . . 0.0 111.469 179.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.541 ' N ' ' O ' ' A' ' 50' ' ' TRP . . . 89.49 21.62 40.11 Favored Glycine 0 N--CA 1.464 0.541 0 C-N-CA 120.53 -0.843 . . . . 0.0 111.126 -179.679 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -80.56 163.37 23.74 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.621 179.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 75.9 t -60.09 123.51 12.73 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.335 0 O-C-N 123.565 0.54 . . . . 0.0 110.085 -179.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 38.7 tttm -77.24 -49.51 14.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.956 0.407 . . . . 0.0 110.989 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -150.84 148.98 29.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.75 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -147.59 129.37 15.21 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.032 179.394 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -79.14 134.03 36.72 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.305 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.3 mtm180 -78.47 172.67 13.31 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.604 0.716 . . . . 0.0 110.657 -179.151 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.528 ' NH2' ' O ' ' A' ' 31' ' ' GLY . 8.1 tpp180 -68.79 -11.13 60.04 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.387 179.154 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -95.96 12.37 30.63 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.997 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 64.63 37.94 7.44 Favored 'General case' 0 N--CA 1.454 -0.267 0 O-C-N 123.823 0.702 . . . . 0.0 111.261 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 24.5 p -117.88 126.58 52.64 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.417 179.033 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -72.27 122.97 21.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.414 -179.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -120.18 111.78 18.27 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.106 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -82.3 135.35 35.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.676 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.447 ' OH ' ' CG ' ' A' ' 29' ' ' GLN . 74.8 m-85 -105.55 153.15 22.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.369 179.568 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.594 HD22 ' CB ' ' A' ' 72' ' ' GLU . 42.1 t30 -94.31 112.55 24.35 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.681 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.478 ' HG3' ' N ' ' A' ' 72' ' ' GLU . 60.5 pttt -43.39 -37.26 2.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.118 0.485 . . . . 0.0 110.485 -179.637 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.594 ' CB ' HD22 ' A' ' 70' ' ' ASN . 2.8 tt0 -70.05 151.51 45.44 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 179.769 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.544 ' NE ' ' CG ' ' A' ' 22' ' ' GLU . 0.1 OUTLIER -128.87 141.71 51.2 Favored 'General case' 0 C--N 1.321 -0.635 0 O-C-N 123.809 0.693 . . . . 0.0 112.732 -179.484 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -135.74 38.57 2.83 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 179.009 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . 0.428 ' CB ' ' OE1' ' A' ' 22' ' ' GLU . 32.7 t -87.77 149.24 24.3 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.945 179.636 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -131.46 174.4 10.13 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.358 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.431 ' OD1' ' N ' ' A' ' 78' ' ' LYS . 52.8 p-10 -53.25 -19.56 3.3 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.065 0.46 . . . . 0.0 110.508 -179.722 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.431 ' N ' ' OD1' ' A' ' 77' ' ' ASP . 26.2 mmtm -67.38 -37.91 83.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.82 179.226 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.437 ' O ' ' CG2' ' A' ' 83' ' ' VAL . 3.8 mm-40 -82.12 -32.16 30.3 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.257 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 84.7 t -58.0 -40.51 77.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.164 0.507 . . . . 0.0 109.844 -179.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 55.4 m170 -73.43 -39.37 65.05 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.061 179.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.66 -21.43 62.6 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.719 179.484 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.437 ' CG2' ' O ' ' A' ' 79' ' ' GLU . 92.2 t -87.25 138.44 19.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.468 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -108.32 141.87 39.49 Favored 'General case' 0 C--O 1.225 -0.214 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.564 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 49.3 t -116.62 122.81 70.7 Favored 'Isoleucine or valine' 0 C--O 1.231 0.119 0 CA-C-O 120.98 0.419 . . . . 0.0 110.411 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.559 ' CD1' ' O ' ' A' ' 86' ' ' TYR . 0.4 OUTLIER -88.0 146.42 25.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.495 179.91 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.448 ' O ' ' CG1' ' A' ' 87' ' ' VAL . 4.6 p -128.41 125.76 64.46 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.455 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 20.2 p90 . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 118.062 -0.97 . . . . 0.0 110.383 179.771 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.351 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 69.9 m -66.6 141.7 57.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.782 0.325 . . . . 0.0 110.593 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 55.2 p-80 -105.77 6.08 31.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.528 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 24.9 mtt -71.02 99.18 1.76 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.0 mmt -128.42 125.54 38.79 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.584 179.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.38 138.99 30.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.601 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 50.9 p 40.8 -159.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.659 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 62.1 m 53.08 37.64 25.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.534 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -152.33 78.79 1.23 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.401 179.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 85.9 t -117.82 128.29 75.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.615 179.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.411 ' H ' ' HD2' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -98.92 155.99 36.01 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.205 -179.811 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -71.2 156.63 58.97 Favored 'Trans proline' 0 N--CA 1.492 1.438 0 C-N-CA 122.487 2.125 . . . . 0.0 112.506 179.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.67 -43.66 8.55 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.793 179.301 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 71.3 m -158.01 165.07 36.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.931 -179.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.6 mp -126.91 132.03 70.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.417 179.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.497 ' HG ' ' H ' ' A' ' 13' ' ' ARG . 45.8 t -122.95 178.16 5.18 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.478 -179.448 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.513 ' NH1' ' O ' ' A' ' 81' ' ' HIS . 26.3 mmt180 -117.64 132.16 56.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.785 179.676 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.3 152.41 45.02 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.592 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.63 ' H ' ' CD ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -95.16 -38.1 10.74 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.389 -179.644 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.452 ' CG ' ' N ' ' A' ' 17' ' ' TRP . 0.2 OUTLIER -136.88 -171.33 2.91 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 -179.661 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.452 ' N ' ' CG ' ' A' ' 16' ' ' LYS . 65.4 t90 -97.2 127.94 43.62 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.792 179.243 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.523 ' HG ' ' N ' ' A' ' 19' ' ' GLU . 47.2 t -155.5 156.02 34.48 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.462 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.523 ' N ' ' HG ' ' A' ' 18' ' ' SER . 25.2 pt-20 -43.76 -29.92 0.59 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.366 -179.45 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -66.02 -43.05 88.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.515 179.033 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.436 ' N ' ' O ' ' A' ' 18' ' ' SER . 6.1 mm -72.9 -58.74 4.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 109.889 -179.667 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.462 ' CD ' ' N ' ' A' ' 23' ' ' ASN . 2.3 tm-20 -43.33 -52.15 5.98 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.886 -0.412 . . . . 0.0 109.886 -179.41 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.462 ' N ' ' CD ' ' A' ' 22' ' ' GLU . 2.6 t30 -57.38 -49.43 76.2 Favored 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 120.338 -0.545 . . . . 0.0 110.622 -179.648 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 62.0 mt -57.58 -41.63 81.51 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 119.974 -0.69 . . . . 0.0 109.999 -179.151 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -60.69 -48.79 80.19 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.483 178.458 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.603 ' HE ' ' NH1' ' A' ' 73' ' ' ARG . 95.7 mtt180 -62.15 -45.87 91.48 Favored 'General case' 0 C--O 1.225 -0.222 0 C-N-CA 120.569 -0.453 . . . . 0.0 110.641 -179.203 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -66.31 -47.61 72.98 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.175 -0.61 . . . . 0.0 110.469 -179.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -59.2 -44.19 92.23 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.123 -179.063 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.544 ' NE2' ' OH ' ' A' ' 69' ' ' TYR . 2.3 pp0? -69.78 -22.31 63.35 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.144 -0.622 . . . . 0.0 109.652 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.97 -16.71 43.11 Favored 'General case' 0 N--CA 1.457 -0.103 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.705 179.356 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.495 ' O ' ' NE ' ' A' ' 62' ' ' ARG . . . 107.8 -0.88 33.98 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.538 -0.625 . . . . 0.0 111.538 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.537 ' CD1' ' OE1' ' A' ' 37' ' ' GLU . 2.5 m-85 -110.63 148.85 31.37 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-O 121.176 0.512 . . . . 0.0 110.021 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.79 -35.56 19.07 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.996 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.473 ' CG ' ' H ' ' A' ' 35' ' ' GLU . 39.7 t0 -171.66 -178.37 2.24 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.496 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.473 ' H ' ' CG ' ' A' ' 34' ' ' ASP . 22.8 pt-20 -44.56 -41.72 6.72 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.908 -178.419 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -47.55 -63.69 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.437 -1.095 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.661 -179.304 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.537 ' OE1' ' CD1' ' A' ' 32' ' ' TYR . 13.0 tm-20 -64.33 -40.69 96.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.065 -178.477 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.429 ' C ' ' CD1' ' A' ' 38' ' ' TYR . 1.4 t80 -59.64 -51.13 71.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.42 0.629 . . . . 0.0 110.44 -178.193 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.605 ' O ' ' N ' ' A' ' 43' ' ' GLN . 5.4 mtpm? -57.75 -39.57 77.7 Favored 'General case' 0 CA--C 1.509 -0.6 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.657 -178.428 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.436 ' O ' ' OE1' ' A' ' 43' ' ' GLN . 0.7 OUTLIER -60.68 -42.31 96.85 Favored 'General case' 0 C--N 1.319 -0.759 0 C-N-CA 120.609 -0.437 . . . . 0.0 110.655 -179.814 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 74.4 t -59.43 -46.07 93.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.709 -178.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.536 ' NZ ' ' OE1' ' A' ' 60' ' ' GLN . 38.7 mmtm -102.65 3.97 37.73 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.834 -0.347 . . . . 0.0 110.89 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.605 ' N ' ' O ' ' A' ' 39' ' ' LYS . 30.1 mm100 47.72 51.3 14.25 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.633 -179.747 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 31.9 m -124.75 -172.49 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.479 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -135.33 -34.87 0.84 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.933 -179.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 26.4 ptt? -97.94 147.86 24.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.953 -179.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 47.8 t -116.41 134.79 58.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -72.33 122.36 21.02 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 110.351 -0.24 . . . . 0.0 110.351 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 41.4 mtt180 -140.48 163.89 31.62 Favored 'General case' 0 C--O 1.233 0.218 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.337 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.498 ' O ' ' N ' ' A' ' 54' ' ' GLY . 91.3 m95 -89.86 140.43 27.77 Favored Pre-proline 0 C--O 1.221 -0.406 0 C-N-CA 120.193 -0.603 . . . . 0.0 110.981 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -65.75 -28.71 51.5 Favored 'Trans proline' 0 N--CA 1.499 1.816 0 C-N-CA 122.062 1.841 . . . . 0.0 112.965 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -57.59 -50.41 73.21 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.898 -178.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 81.9 p -119.61 -27.82 5.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.74 -179.172 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 50' ' ' TRP . . . 90.45 13.79 59.44 Favored Glycine 0 CA--C 1.524 0.627 0 C-N-CA 120.232 -0.985 . . . . 0.0 111.088 -178.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -84.6 157.09 21.31 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 120.24 -0.584 . . . . 0.0 111.112 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 38.8 t -57.43 125.97 14.26 Favored 'Isoleucine or valine' 0 C--O 1.232 0.181 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.433 -179.097 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.441 ' CD ' ' CZ2' ' A' ' 50' ' ' TRP . 24.7 ttpp -76.4 -51.37 11.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.124 179.53 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -143.17 145.37 32.75 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.292 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.421 HD12 ' CZ ' ' A' ' 38' ' ' TYR . 6.1 tp -146.36 129.84 16.85 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.162 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.536 ' OE1' ' NZ ' ' A' ' 42' ' ' LYS . 30.2 tt0 -80.25 134.09 36.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.664 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 7.4 mtm180 -76.38 171.06 15.2 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.887 -179.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.495 ' NE ' ' O ' ' A' ' 31' ' ' GLY . 7.8 mtt180 -67.85 -9.63 46.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.007 179.302 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -97.88 14.35 27.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.063 -179.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 63.65 38.2 9.64 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-O 120.769 0.318 . . . . 0.0 111.268 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 24.5 p -120.29 130.35 54.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.461 178.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 -73.36 120.85 19.54 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.3 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -118.73 114.47 22.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.123 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -82.88 135.51 34.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.726 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.544 ' OH ' ' NE2' ' A' ' 29' ' ' GLN . 58.8 m-85 -105.31 150.99 24.7 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.653 179.611 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 72' ' ' GLU . 7.7 t30 -93.8 118.05 30.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.189 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.1 ptmm? -59.4 -34.79 72.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.301 179.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.448 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 99.6 mt-10 -74.11 58.25 0.68 Allowed 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.103 -0.639 . . . . 0.0 109.876 179.574 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.603 ' NH1' ' HE ' ' A' ' 26' ' ' ARG . 0.1 OUTLIER -32.14 131.48 0.14 Allowed 'General case' 0 C--O 1.232 0.154 0 O-C-N 123.481 0.488 . . . . 0.0 111.683 -179.06 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -119.96 35.69 4.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.084 179.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . 0.439 ' SG ' ' CD1' ' A' ' 17' ' ' TRP . 0.0 OUTLIER -88.79 145.14 25.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.264 179.704 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.4 ' N ' ' SG ' ' A' ' 75' ' ' CYS . 97.6 mt-10 -127.17 172.62 10.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.349 179.723 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -49.24 -24.64 1.87 Allowed 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.543 -179.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.71 -33.91 76.68 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.915 179.258 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -82.63 -30.35 29.46 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.466 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 77.6 t -58.77 -46.78 90.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.513 ' O ' ' NH1' ' A' ' 13' ' ' ARG . 69.2 m80 -67.67 -40.1 84.47 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.026 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.511 ' C ' HH12 ' A' ' 13' ' ' ARG . 0.1 OUTLIER -70.34 -27.24 64.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.857 0.36 . . . . 0.0 110.68 179.838 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 97.6 t -85.96 135.38 25.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.782 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -104.55 157.36 17.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.134 179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 17.5 t -124.53 120.45 59.03 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.562 ' CD1' ' O ' ' A' ' 86' ' ' TYR . 0.3 OUTLIER -88.42 146.69 25.09 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.953 -179.522 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.9 m -128.8 127.01 65.92 Favored 'Isoleucine or valine' 0 C--O 1.232 0.132 0 CA-C-O 121.124 0.488 . . . . 0.0 110.646 179.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 35.3 p90 . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 117.93 -1.033 . . . . 0.0 110.437 -179.92 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.384 0 N-CA-C 109.466 -1.453 . . . . 0.0 109.466 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' -2' ' ' SER . . . . . 0.572 ' HG ' ' N ' ' A' ' -1' ' ' HIS . 1.0 OUTLIER 53.08 -169.32 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.814 0.34 . . . . 0.0 110.538 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . 0.572 ' N ' ' HG ' ' A' ' -2' ' ' SER . 26.9 t-80 59.4 38.08 22.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.58 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 7.7 mtm -105.82 -141.13 0.37 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.452 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.4 mtt -109.76 114.14 27.47 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.429 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -70.48 146.4 50.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.716 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.3 m 48.49 33.45 4.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.533 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -150.51 -71.03 0.18 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.718 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 51.82 51.62 16.19 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.756 -0.377 . . . . 0.0 110.849 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 87.4 t -77.38 112.34 15.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.273 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 32.0 mmtm -118.59 152.45 51.2 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.944 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -66.03 158.02 56.46 Favored 'Trans proline' 0 C--N 1.309 -1.542 0 C-N-CA 122.786 2.324 . . . . 0.0 112.002 179.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -103.46 -30.32 10.62 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.671 -179.354 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 41.6 m -159.3 166.14 31.88 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.696 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.2 mp -130.29 131.75 65.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.348 179.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 65.3 m -120.57 176.2 5.62 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.589 -179.548 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.6 mmt85 -114.87 131.6 56.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.265 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.409 ' O ' ' CG1' ' A' ' 80' ' ' VAL . . . -63.17 146.06 54.16 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.795 -179.524 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -88.98 -38.97 14.04 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.779 -0.368 . . . . 0.0 111.762 -179.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -149.3 151.04 33.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.434 -179.471 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.416 ' HE1' ' HD2' ' A' ' 73' ' ' ARG . 71.4 t90 -54.34 134.6 45.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.05 -179.175 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -159.49 159.88 34.01 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.102 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -47.62 -31.96 5.07 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.35 -179.07 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -69.46 -39.42 77.76 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.66 178.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.5 mm -70.74 -58.13 6.08 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.356 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 -178.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.474 ' CD ' ' N ' ' A' ' 23' ' ' ASN . 1.7 tm-20 -44.53 -50.61 9.48 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 120.539 -0.464 . . . . 0.0 109.871 -178.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.474 ' N ' ' CD ' ' A' ' 22' ' ' GLU . 2.2 t30 -58.06 -49.07 78.17 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.931 -179.202 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 54.2 mt -59.59 -40.76 88.5 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.016 -0.673 . . . . 0.0 110.041 -179.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -61.27 -49.38 77.31 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.418 178.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.408 ' NH2' ' O ' ' A' ' 70' ' ' ASN . 94.6 mtt180 -61.67 -44.17 97.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.368 0.604 . . . . 0.0 110.02 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.457 ' CE2' ' C ' ' A' ' 34' ' ' ASP . 6.4 m-85 -65.64 -49.07 70.01 Favored 'General case' 0 C--N 1.321 -0.639 0 O-C-N 121.437 -0.789 . . . . 0.0 110.651 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -59.73 -45.85 90.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.48 -179.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.0 -21.33 65.95 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.559 -0.456 . . . . 0.0 109.813 179.777 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -89.06 -14.25 36.8 Favored 'General case' 0 CA--C 1.528 0.123 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.624 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 103.3 -4.84 48.41 Favored Glycine 0 CA--C 1.528 0.855 0 N-CA-C 111.325 -0.71 . . . . 0.0 111.325 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.489 ' CE2' ' O ' ' A' ' 60' ' ' GLN . 15.3 m-85 -100.16 150.6 22.34 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-O 121.022 0.439 . . . . 0.0 110.078 -179.714 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.98 -38.41 16.64 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.838 -179.336 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.457 ' C ' ' CE2' ' A' ' 27' ' ' PHE . 44.7 t0 -168.69 177.27 5.21 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.536 -179.585 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.454 ' H ' ' CG ' ' A' ' 34' ' ' ASP . 98.5 mt-10 -45.95 -32.08 2.54 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 123.555 0.534 . . . . 0.0 110.939 -179.001 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.415 HD11 HG23 ' A' ' 36' ' ' ILE . 93.2 mt -57.84 -48.75 83.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.962 -179.047 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 51.1 tp10 -68.71 -42.86 77.1 Favored 'General case' 0 CA--C 1.513 -0.447 0 C-N-CA 120.889 -0.324 . . . . 0.0 111.612 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.405 ' O ' ' CD1' ' A' ' 38' ' ' TYR . 1.7 t80 -58.64 -50.19 74.74 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 119.46 -0.896 . . . . 0.0 110.157 -178.028 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.525 ' O ' ' N ' ' A' ' 43' ' ' GLN . 57.7 mttp -59.0 -40.49 85.04 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.727 -179.22 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -62.45 -40.1 95.5 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.702 179.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.2 t -58.84 -45.95 91.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.896 -179.27 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.56 ' HZ3' ' CB ' ' A' ' 60' ' ' GLN . 43.5 mmtm -100.8 5.72 43.59 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.657 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.525 ' N ' ' O ' ' A' ' 39' ' ' LYS . 0.8 OUTLIER 46.84 53.2 10.62 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.746 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.1 m -125.24 -171.73 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.447 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -145.93 30.2 1.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.719 -179.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 4.0 mmm -159.89 128.41 4.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.001 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 80.5 t -108.34 130.19 61.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.368 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -71.34 125.48 27.1 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.953 -0.299 . . . . 0.0 110.36 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 35.4 mtt85 -138.1 170.64 15.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.365 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 69.7 m95 -99.25 142.46 24.65 Favored Pre-proline 0 CA--C 1.534 0.332 0 C-N-CA 120.218 -0.593 . . . . 0.0 110.988 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -66.66 -24.24 48.16 Favored 'Trans proline' 0 N--CA 1.497 1.704 0 C-N-CA 122.242 1.961 . . . . 0.0 112.687 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -51.73 -52.64 46.95 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.135 -177.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.591 ' OG1' ' CD2' ' A' ' 55' ' ' TYR . 23.5 p -130.96 -26.89 2.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.116 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 96.82 27.55 9.5 Favored Glycine 0 CA--C 1.523 0.555 0 C-N-CA 120.417 -0.897 . . . . 0.0 111.559 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.591 ' CD2' ' OG1' ' A' ' 53' ' ' THR . 28.0 m-85 -88.75 158.94 18.01 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.39 -0.524 . . . . 0.0 110.627 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 61.0 t -59.34 126.24 16.69 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.07 -178.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 77.2 tttt -79.46 -49.94 11.54 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.712 179.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -138.91 141.59 38.52 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.253 -179.581 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 9.3 tp -147.0 129.0 15.47 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.166 -0.613 . . . . 0.0 110.114 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.56 ' CB ' ' HZ3' ' A' ' 42' ' ' LYS . 29.6 tt0 -79.73 133.87 36.36 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.985 -179.666 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 22.1 mtm180 -76.48 168.97 19.13 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.807 -179.099 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.24 -8.0 28.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.919 179.251 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -98.2 12.49 34.44 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.153 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 63.0 m-20 65.43 37.44 6.19 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.987 0.423 . . . . 0.0 111.507 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 28.1 p -119.93 132.1 55.42 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.494 179.021 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -77.09 121.17 23.19 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 -179.476 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -120.33 116.13 24.92 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.276 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -82.36 132.35 35.22 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.044 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -99.69 156.31 17.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.678 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.509 HD22 ' CB ' ' A' ' 72' ' ' GLU . 47.4 t30 -93.63 115.79 28.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.457 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.46 -22.27 63.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.13 179.533 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.509 ' CB ' HD22 ' A' ' 70' ' ' ASN . 1.0 OUTLIER -80.87 57.11 2.93 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.353 0.597 . . . . 0.0 109.632 179.388 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.592 ' NE ' ' SG ' ' A' ' 75' ' ' CYS . 0.0 OUTLIER -31.86 124.76 0.27 Allowed 'General case' 0 C--N 1.334 -0.089 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.559 -178.914 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.528 ' H ' HH11 ' A' ' 73' ' ' ARG . 7.7 mm-40 -121.73 35.27 4.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.323 0.582 . . . . 0.0 109.864 -179.779 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . 0.592 ' SG ' ' NE ' ' A' ' 73' ' ' ARG . 87.8 m -88.43 146.73 25.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.842 179.56 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.413 ' C ' ' N ' ' A' ' 78' ' ' LYS . 97.7 mt-10 -132.47 174.51 10.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.766 -179.667 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.421 ' O ' ' OD1' ' A' ' 77' ' ' ASP . 65.5 t0 -46.99 -22.35 0.32 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.047 -179.514 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.506 ' CD ' ' N ' ' A' ' 78' ' ' LYS . 10.9 mptt -65.92 -35.19 79.94 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.659 179.262 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.515 ' O ' ' CG2' ' A' ' 83' ' ' VAL . 1.0 OUTLIER -78.39 -34.5 48.13 Favored 'General case' 0 C--O 1.216 -0.69 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.95 179.827 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.409 ' CG1' ' O ' ' A' ' 14' ' ' ALA . 62.2 t -61.32 -45.0 99.48 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 C-N-CA 119.743 -0.783 . . . . 0.0 110.933 179.517 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -63.36 -44.71 94.02 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.982 -0.554 . . . . 0.0 112.02 -178.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.0 -22.41 42.5 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 120.347 -0.541 . . . . 0.0 110.959 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.515 ' CG2' ' O ' ' A' ' 79' ' ' GLU . 79.7 t -84.71 135.98 23.71 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.836 179.682 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 56.9 pttt -110.12 151.12 27.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.89 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 46.6 t -120.69 121.56 65.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 10.3 p90 -83.46 143.0 30.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.498 -179.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 6.1 m -126.58 131.56 71.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 CA-C-O 121.086 0.469 . . . . 0.0 110.744 179.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 55.7 p90 . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.404 -179.984 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . 0.495 ' O ' ' CE1' ' A' ' -1' ' ' HIS . . . . . . . . 0 N--CA 1.49 2.28 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 67.0 m -68.26 148.66 50.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.666 0.27 . . . . 0.0 110.523 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . 0.495 ' CE1' ' O ' ' A' ' -3' ' ' GLY . 79.8 m80 -128.82 144.58 51.21 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.56 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 12.4 ttt -60.55 -38.05 83.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.472 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.4 mtp -86.43 140.49 29.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.534 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.51 142.34 58.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.426 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 96.9 m -70.44 126.23 29.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.586 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 63.6 p -140.74 18.64 2.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.565 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.418 ' OD1' ' N ' ' A' ' 6' ' ' VAL . 67.0 t0 -59.61 133.71 56.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.346 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.418 ' N ' ' OD1' ' A' ' 5' ' ' ASP . 63.2 t -86.01 124.28 40.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.372 -179.79 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -88.66 153.08 49.98 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -46.38 162.64 0.13 Allowed 'Trans proline' 0 N--CA 1.49 1.306 0 C-N-CA 122.35 2.033 . . . . 0.0 112.397 179.053 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.8 tptp -92.6 -33.05 14.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.392 179.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 71.1 m -163.69 171.26 15.89 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.853 0.359 . . . . 0.0 110.996 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.7 mp -129.18 134.79 63.32 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.236 179.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.3 t -121.87 178.46 4.86 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.578 -179.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 90.5 mtt-85 -114.32 132.89 56.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.96 179.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.64 144.49 56.21 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.314 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.8 mmtt -96.64 -41.03 8.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.84 0.352 . . . . 0.0 111.141 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -146.57 148.8 32.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.023 0.44 . . . . 0.0 110.783 -179.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 66.5 t90 -53.69 136.25 39.7 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.012 179.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.546 ' HG ' ' H ' ' A' ' 20' ' ' GLU . 1.4 p -161.55 163.9 29.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.955 179.18 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 47.4 mp0 -51.08 -35.81 36.85 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.859 -178.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.546 ' H ' ' HG ' ' A' ' 18' ' ' SER . 79.3 mm-40 -67.94 -41.36 82.66 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.648 179.373 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 7.9 mm -71.21 -58.15 5.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 C-N-CA 120.684 -0.407 . . . . 0.0 110.054 -179.387 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.503 ' OE2' ' NH2' ' A' ' 26' ' ' ARG . 88.6 tt0 -44.04 -48.45 8.86 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -178.233 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -61.49 -48.53 80.64 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.756 179.365 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 52.3 mt -58.88 -39.31 81.04 Favored 'General case' 0 CA--C 1.514 -0.438 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.528 -179.176 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.447 ' CD1' ' C ' ' A' ' 25' ' ' TYR . 15.6 t80 -58.26 -49.69 76.22 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.09 178.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.503 ' NH2' ' OE2' ' A' ' 22' ' ' GLU . 95.7 mtt180 -62.09 -45.76 92.06 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.449 -0.5 . . . . 0.0 110.192 -179.221 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -62.84 -50.37 71.23 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.863 0.363 . . . . 0.0 110.996 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.511 ' NE2' ' O ' ' A' ' 84' ' ' LYS . 74.9 mt-30 -56.91 -40.09 75.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.816 -178.799 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 47.8 mm-40 -62.49 -40.65 97.36 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.172 178.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.53 -20.05 61.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.682 179.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 106.59 8.76 32.16 Favored Glycine 0 CA--C 1.522 0.505 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.512 ' CD1' ' OE1' ' A' ' 37' ' ' GLU . 18.9 m-85 -108.91 149.75 28.7 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.184 0.516 . . . . 0.0 110.769 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.661 ' CA ' ' HE ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -88.05 -38.07 15.76 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.78 -179.131 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.434 ' OD2' ' OH ' ' A' ' 86' ' ' TYR . 49.2 p-10 -164.85 174.14 10.93 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.944 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.4 mp0 -45.95 -35.37 4.62 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.369 -178.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 39.9 mm -52.08 -49.75 38.01 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-O 120.955 0.407 . . . . 0.0 110.643 -178.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.512 ' OE1' ' CD1' ' A' ' 32' ' ' TYR . 3.8 tm-20 -67.92 -41.57 82.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.652 -179.45 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -59.51 -47.13 86.71 Favored 'General case' 0 CA--C 1.511 -0.524 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.313 179.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.515 ' O ' ' N ' ' A' ' 43' ' ' GLN . 58.0 mttp -59.66 -41.97 91.78 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 120.411 -0.516 . . . . 0.0 111.064 -179.069 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 96.2 mm-40 -61.59 -42.77 99.34 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.323 -0.551 . . . . 0.0 110.698 -179.418 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 63.2 t -61.77 -44.79 99.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.757 0.313 . . . . 0.0 111.226 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp -94.41 2.29 55.78 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.599 -179.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.515 ' N ' ' O ' ' A' ' 39' ' ' LYS . 99.0 mt-30 45.91 51.13 10.87 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.817 179.37 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.1 m -130.68 -178.21 2.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.46 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -133.15 20.64 4.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.87 -179.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.24 137.69 15.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.689 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 16.5 t -110.83 134.73 52.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.964 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -70.17 124.76 24.92 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.547 ' NE ' ' O ' ' A' ' 54' ' ' GLY . 37.4 mtp180 -142.35 165.08 28.4 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.365 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.484 ' O ' ' N ' ' A' ' 54' ' ' GLY . 78.8 m95 -93.44 141.7 24.26 Favored Pre-proline 0 C--O 1.22 -0.459 0 C-N-CA 120.217 -0.593 . . . . 0.0 111.14 -179.423 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -66.24 -27.16 48.67 Favored 'Trans proline' 0 N--CA 1.496 1.676 0 C-N-CA 122.27 1.98 . . . . 0.0 112.764 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -53.7 -50.52 65.7 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.921 -177.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.548 ' OG1' ' CD2' ' A' ' 55' ' ' TYR . 75.5 p -127.4 -26.9 2.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.438 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.547 ' O ' ' NE ' ' A' ' 49' ' ' ARG . . . 92.79 18.84 39.2 Favored Glycine 0 C--O 1.224 -0.48 0 C-N-CA 120.051 -1.071 . . . . 0.0 111.067 -178.782 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.548 ' CD2' ' OG1' ' A' ' 53' ' ' THR . 24.6 m-85 -82.9 161.46 21.85 Favored 'General case' 0 CA--C 1.516 -0.358 0 C-N-CA 120.268 -0.573 . . . . 0.0 111.149 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.471 ' O ' ' NH1' ' A' ' 26' ' ' ARG . 41.2 t -62.45 122.48 13.32 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.487 -178.534 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -75.18 -49.93 17.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.566 179.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -142.62 144.67 32.91 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.178 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 9.0 tp -145.56 127.24 15.22 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.177 -179.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -84.58 133.01 34.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.206 -179.437 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 20.2 mtm180 -76.13 173.44 11.31 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.511 0.672 . . . . 0.0 111.083 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 25.6 mmm-85 -70.5 -8.64 52.79 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.073 179.14 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -95.81 5.57 51.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.987 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 73.49 36.77 0.76 Allowed 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.581 -0.282 . . . . 0.0 110.946 179.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 23.6 p -118.11 125.97 51.32 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.475 179.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -78.04 119.66 21.78 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.399 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 2.1 m-30 -111.67 122.91 49.07 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 121.632 0.73 . . . . 0.0 111.182 179.218 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -84.59 130.75 34.69 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 114.361 -1.29 . . . . 0.0 108.83 179.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -111.6 155.45 23.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 123.361 0.413 . . . . 0.0 110.295 -179.063 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.51 HD22 ' CB ' ' A' ' 72' ' ' GLU . 16.6 t30 -91.39 118.24 30.36 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.413 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.7 pttp -65.83 -20.8 66.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.978 179.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.736 ' O ' ' O ' ' A' ' 73' ' ' ARG . 9.0 mm-40 -83.29 64.47 7.79 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.736 ' O ' ' O ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER 34.83 124.55 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 121.965 0.888 . . . . 0.0 111.721 179.859 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.412 ' O ' ' OE1' ' A' ' 76' ' ' GLU . 87.2 tt0 -122.47 -22.69 5.39 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.908 179.566 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . 0.545 ' O ' ' NE ' ' A' ' 73' ' ' ARG . 59.2 m -82.49 132.66 35.2 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.247 0.546 . . . . 0.0 111.45 -179.496 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.412 ' OE1' ' O ' ' A' ' 74' ' ' GLU . 30.6 mp0 -115.71 168.61 9.88 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.408 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -49.4 -34.55 16.6 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 121.272 0.558 . . . . 0.0 109.895 -179.051 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -59.28 -32.71 70.28 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.696 179.217 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.537 ' O ' ' N ' ' A' ' 83' ' ' VAL . 81.0 mm-40 -80.97 -28.81 35.48 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.331 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 52.8 t -57.13 -50.7 75.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 C-N-CA 120.21 -0.596 . . . . 0.0 109.441 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 70.6 m80 -64.37 -41.31 96.78 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 120.255 -0.578 . . . . 0.0 110.586 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.7 mmmt -73.25 -26.85 61.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.087 0.47 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.537 ' N ' ' O ' ' A' ' 79' ' ' GLU . 63.4 t -82.69 126.87 40.07 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 CA-C-O 121.523 0.678 . . . . 0.0 111.871 -179.391 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.511 ' O ' ' NE2' ' A' ' 28' ' ' GLN . 6.3 ptpp? -105.24 126.21 51.84 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.634 178.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 11.3 t -95.63 120.87 45.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 -178.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.434 ' OH ' ' OD2' ' A' ' 34' ' ' ASP . 9.3 p90 -79.35 147.19 32.5 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.416 -179.556 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 4.7 m -125.43 132.49 70.95 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 CA-C-O 121.085 0.469 . . . . 0.0 110.554 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 52.0 p90 . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 117.92 -1.038 . . . . 0.0 110.502 -179.851 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.308 0 N-CA-C 109.546 -1.422 . . . . 0.0 109.546 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 65.7 m -70.01 153.7 42.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.761 0.315 . . . . 0.0 110.461 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -63.61 144.11 57.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.636 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 12.5 ttp -138.19 -69.38 0.44 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.639 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 46.7 ttp 60.43 110.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.336 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.63 136.49 57.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.633 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.427 ' O ' ' C ' ' A' ' 4' ' ' SER . 71.8 p -136.55 157.01 47.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.093 179.611 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 3' ' ' THR . 31.5 m 35.61 -105.88 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.639 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -143.18 111.61 6.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.386 179.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 70.0 t -70.78 129.67 34.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.57 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -92.38 151.51 41.48 Favored Pre-proline 0 C--N 1.328 -0.344 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.765 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -68.26 150.26 76.39 Favored 'Trans proline' 0 C--N 1.31 -1.462 0 C-N-CA 122.821 2.347 . . . . 0.0 112.62 179.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.6 mmmt -101.04 -36.74 8.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.695 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 70.6 m -155.55 163.23 40.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.889 179.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.3 mp -131.44 133.04 62.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.572 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.0 t -124.29 176.96 6.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.413 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.7 mpt_? -115.76 133.92 55.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.021 0.439 . . . . 0.0 110.956 -179.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.67 154.19 39.58 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.67 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -98.38 -38.46 9.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.279 -178.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -151.63 154.06 35.66 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.682 -179.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.452 ' CH2' ' OH ' ' A' ' 55' ' ' TYR . 57.4 t90 -49.49 132.8 20.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.826 -179.77 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.09 158.37 32.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.873 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -51.22 -36.49 41.84 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.325 -178.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -69.22 -42.68 75.41 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.825 0.345 . . . . 0.0 110.987 179.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.4 mm -70.42 -57.31 8.29 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.367 0 CA-C-N 116.24 -0.436 . . . . 0.0 109.946 -178.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -47.06 -46.61 22.51 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.225 -177.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.69 -50.03 75.37 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.246 0.546 . . . . 0.0 110.975 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 77.2 mt -57.59 -41.97 82.22 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 119.719 -0.792 . . . . 0.0 110.538 -178.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.577 ' CD2' ' SG ' ' A' ' 75' ' ' CYS . 49.2 t80 -59.8 -49.48 77.56 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 120.386 -0.526 . . . . 0.0 111.565 178.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.52 ' NH2' ' O ' ' A' ' 70' ' ' ASN . 93.9 mtt180 -62.82 -47.46 83.31 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.648 -0.421 . . . . 0.0 111.227 -178.746 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -65.91 -47.56 74.37 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.403 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -56.6 -41.81 77.65 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.175 -179.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -62.35 -38.78 90.84 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.271 178.179 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.89 -15.73 63.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.615 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 104.56 1.34 43.46 Favored Glycine 0 CA--C 1.528 0.851 0 N-CA-C 111.436 -0.666 . . . . 0.0 111.436 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -102.23 145.58 29.22 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-O 121.157 0.503 . . . . 0.0 110.662 -179.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.42 -35.48 60.97 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.698 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.418 ' OD2' ' OH ' ' A' ' 86' ' ' TYR . 41.7 p-10 -164.59 174.75 10.5 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.427 179.699 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -53.56 -27.53 26.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.396 -179.124 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 92.1 mt -59.53 -48.54 86.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 C-N-CA 120.481 -0.488 . . . . 0.0 110.986 -179.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 50.6 tp10 -66.38 -40.26 89.59 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.847 0.356 . . . . 0.0 110.524 -179.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -59.41 -46.97 87.21 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.226 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.548 ' O ' ' N ' ' A' ' 43' ' ' GLN . 97.9 mttt -61.15 -39.09 88.77 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.725 -179.281 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.414 ' O ' ' NE2' ' A' ' 43' ' ' GLN . 91.3 mt-30 -64.09 -42.58 96.86 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.655 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 78.1 t -62.64 -44.32 99.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.303 -179.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.516 ' HZ3' ' CD ' ' A' ' 60' ' ' GLN . 72.2 mmtt -95.43 -1.3 51.21 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.36 -179.711 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.548 ' N ' ' O ' ' A' ' 39' ' ' LYS . 93.6 mm-40 44.46 55.71 5.52 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.354 -0.539 . . . . 0.0 110.718 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 32.6 m -109.4 -168.53 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.3 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -120.48 -24.13 5.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.034 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -154.45 163.31 40.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.61 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 60.9 t -104.08 135.27 42.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.297 -0.411 . . . . 0.0 109.998 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -71.48 131.47 43.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.95 0.405 . . . . 0.0 110.671 -179.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.414 ' NE ' ' O ' ' A' ' 54' ' ' GLY . 22.3 mtp180 -142.28 170.15 16.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.484 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.487 ' O ' ' N ' ' A' ' 54' ' ' GLY . 88.0 m95 -97.92 143.86 26.99 Favored Pre-proline 0 C--O 1.22 -0.49 0 C-N-CA 120.183 -0.607 . . . . 0.0 111.972 -179.728 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -66.73 -21.19 51.82 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 121.942 1.762 . . . . 0.0 112.194 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -58.4 -54.37 47.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.263 -178.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.512 ' OG1' ' CD2' ' A' ' 55' ' ' TYR . 61.0 p -126.29 -21.23 4.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.793 179.79 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 50' ' ' TRP . . . 84.74 23.98 47.74 Favored Glycine 0 N--CA 1.463 0.476 0 C-N-CA 120.468 -0.872 . . . . 0.0 111.541 -179.665 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.512 ' CD2' ' OG1' ' A' ' 53' ' ' THR . 21.8 m-85 -90.83 160.54 15.69 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 120.209 -0.596 . . . . 0.0 110.678 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 62.0 t -56.59 123.26 7.29 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 CA-C-N 115.087 -0.96 . . . . 0.0 110.385 -178.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.417 ' CD ' ' CZ2' ' A' ' 50' ' ' TRP . 23.2 ttpp -73.28 -50.97 19.31 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.593 179.588 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -144.77 149.24 35.17 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.028 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.0 tp -146.76 137.45 23.88 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.333 -0.547 . . . . 0.0 110.187 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.516 ' CD ' ' HZ3' ' A' ' 42' ' ' LYS . 14.0 tt0 -88.86 131.1 35.25 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.497 -179.621 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.2 mtm180 -79.02 177.99 8.37 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.423 0.63 . . . . 0.0 111.267 -179.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.0 mmt180 -71.51 -11.35 60.82 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.268 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -93.9 10.44 33.29 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.102 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 60.8 m-20 65.66 34.89 7.33 Favored 'General case' 0 N--CA 1.465 0.311 0 O-C-N 123.569 0.543 . . . . 0.0 111.101 -179.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 33.9 p -118.98 130.65 55.8 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.697 179.046 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -74.66 125.2 28.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.476 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -115.35 121.33 42.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.163 -179.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -82.5 134.11 35.2 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.269 -0.423 . . . . 0.0 109.999 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -110.22 154.55 23.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.076 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.52 ' O ' ' NH2' ' A' ' 26' ' ' ARG . 61.8 t30 -80.26 117.52 21.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.539 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.445 ' HB3' ' CD1' ' A' ' 50' ' ' TRP . 1.5 pptp? -70.78 -10.78 60.24 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.467 179.74 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.557 ' O ' ' HB2' ' A' ' 73' ' ' ARG . 2.7 tt0 -88.95 -23.65 22.63 Favored 'General case' 0 CA--C 1.498 -1.042 0 C-N-CA 119.513 -0.875 . . . . 0.0 112.826 -178.188 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.557 ' HB2' ' O ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER 129.84 132.08 0.0 OUTLIER 'General case' 0 C--N 1.312 -1.052 0 O-C-N 126.67 2.481 . . . . 0.0 110.562 -179.567 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -119.18 -22.43 7.17 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 122.018 -0.426 . . . . 0.0 111.052 178.318 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . 0.577 ' SG ' ' CD2' ' A' ' 25' ' ' TYR . 32.8 m -79.78 116.8 20.15 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 121.411 0.624 . . . . 0.0 111.822 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -94.39 160.07 14.83 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.927 179.153 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -48.84 -41.32 32.61 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-N 116.213 -0.449 . . . . 0.0 109.841 -178.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -61.28 -21.42 63.91 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.59 179.021 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.527 ' O ' ' N ' ' A' ' 83' ' ' VAL . 4.8 tt0 -83.59 -33.61 25.33 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.062 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 43.9 t -57.29 -50.08 77.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 C-N-CA 120.038 -0.665 . . . . 0.0 109.646 179.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -61.79 -44.2 97.35 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 120.327 -0.549 . . . . 0.0 110.747 179.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -71.93 -27.95 63.14 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.962 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.527 ' N ' ' O ' ' A' ' 79' ' ' GLU . 55.2 t -77.49 138.44 20.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.136 -179.769 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.2 ptmt -113.01 141.47 46.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.817 179.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 39.5 t -108.09 125.53 64.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.465 -179.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.539 ' CD1' ' O ' ' A' ' 86' ' ' TYR . 0.7 OUTLIER -89.48 139.64 30.32 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.597 -179.731 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 5.0 m -128.0 128.13 68.63 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 CA-C-O 121.221 0.534 . . . . 0.0 110.799 179.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 24.0 p90 . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.44 179.87 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.469 ' C ' HD12 ' A' ' 11' ' ' ILE . 72.9 m . . . . . 0 N--CA 1.458 -0.058 0 CA-C-O 120.875 0.369 . . . . 0.0 110.58 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.662 HD12 ' N ' ' A' ' 11' ' ' ILE . 4.5 mp -124.33 127.13 72.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.417 179.605 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.2 m -118.85 176.19 5.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.51 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.411 ' N ' ' CD ' ' A' ' 13' ' ' ARG . 1.4 mpt_? -110.0 128.3 55.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.597 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.503 ' HB2' HD12 ' A' ' 21' ' ' ILE . . . -61.48 142.18 57.2 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.21 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -96.36 -42.5 8.1 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-O 120.96 0.409 . . . . 0.0 110.702 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.544 ' HG3' ' N ' ' A' ' 17' ' ' TRP . 0.0 OUTLIER -132.85 -171.55 2.7 Favored 'General case' 0 C--O 1.221 -0.445 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.673 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.544 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 60.6 t90 -97.05 123.9 40.91 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.763 178.854 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 21' ' ' ILE . 37.9 t -154.51 154.16 32.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.521 179.645 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 -42.97 -30.64 0.43 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.407 -179.413 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -68.88 -41.37 78.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.713 179.347 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.503 HD12 ' HB2' ' A' ' 14' ' ' ALA . 20.1 mm -77.18 -62.28 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.24 -179.469 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.548 ' OE1' ' CE1' ' A' ' 55' ' ' TYR . 39.5 tt0 -43.45 -46.88 6.95 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 -179.05 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -60.48 -50.8 72.12 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.905 179.224 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.658 ' CD1' HG13 ' A' ' 85' ' ' VAL . 39.4 mt -54.89 -39.18 68.46 Favored 'General case' 0 C--O 1.215 -0.723 0 C-N-CA 121.036 -0.266 . . . . 0.0 110.733 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -59.07 -49.56 77.4 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.706 0.289 . . . . 0.0 110.492 178.494 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 92.6 mtt180 -61.05 -49.86 75.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.804 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.406 ' CE1' HG21 ' A' ' 56' ' ' VAL . 33.3 m-85 -63.99 -49.86 70.81 Favored 'General case' 0 CA--C 1.523 -0.065 0 CA-C-O 120.903 0.383 . . . . 0.0 110.891 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -53.65 -42.1 67.48 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.304 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.422 ' O ' ' NH2' ' A' ' 61' ' ' ARG . 62.2 mm-40 -59.67 -41.24 90.19 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.845 179.205 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.69 -16.41 64.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.407 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 104.68 7.79 38.56 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.486 -0.646 . . . . 0.0 111.486 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.713 ' CE1' HG21 ' A' ' 41' ' ' VAL . 24.6 m-85 -105.3 146.44 29.34 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 120.993 0.425 . . . . 0.0 110.662 179.519 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.79 -35.43 33.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.378 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 51.5 p-10 -161.81 169.8 20.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.536 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.606 ' CD ' ' H ' ' A' ' 35' ' ' GLU . 10.8 mp0 -48.23 -34.52 10.35 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.322 -179.084 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 48.4 mm -55.01 -49.33 72.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.104 -178.588 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.405 ' O ' HG23 ' A' ' 41' ' ' VAL . 46.8 tp10 -63.91 -39.05 93.28 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.959 0.409 . . . . 0.0 110.83 179.583 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.627 ' CD1' HD11 ' A' ' 59' ' ' LEU . 31.7 t80 -62.47 -47.41 84.13 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.497 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.548 ' O ' ' N ' ' A' ' 43' ' ' GLN . 98.6 mttt -59.05 -40.97 86.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.105 -178.317 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -61.77 -40.13 94.09 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.859 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.713 HG21 ' CE1' ' A' ' 32' ' ' TYR . 77.4 t -61.24 -45.03 99.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.955 -179.254 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.569 ' O ' HG13 ' A' ' 44' ' ' VAL . 9.3 mmtm -99.63 4.09 45.53 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.94 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.548 ' N ' ' O ' ' A' ' 39' ' ' LYS . 21.3 mp0 46.06 55.41 7.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.945 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.569 HG13 ' O ' ' A' ' 42' ' ' LYS . 29.8 m -126.02 -172.64 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.597 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -135.33 -34.49 0.85 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.566 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.9 mmt -104.99 133.9 48.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.122 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.7 t -107.51 137.13 40.21 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.082 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -62.73 119.59 9.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.958 0.409 . . . . 0.0 110.779 -179.453 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 93.8 mtt-85 -140.7 158.57 43.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.672 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.473 ' O ' ' HA2' ' A' ' 54' ' ' GLY . 77.5 m95 -94.91 141.06 22.78 Favored Pre-proline 0 N--CA 1.45 -0.429 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.787 179.603 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.22 -31.48 44.36 Favored 'Trans proline' 0 C--N 1.303 -1.862 0 C-N-CA 122.691 2.261 . . . . 0.0 112.226 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -50.43 -52.33 38.68 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.811 -178.474 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.523 ' OG1' ' CD2' ' A' ' 55' ' ' TYR . 31.3 p -126.62 -33.78 2.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.218 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.473 ' HA2' ' O ' ' A' ' 50' ' ' TRP . . . 100.53 20.79 14.04 Favored Glycine 0 CA--C 1.519 0.308 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.336 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.548 ' CE1' ' OE1' ' A' ' 22' ' ' GLU . 31.4 m-85 -80.58 157.56 26.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.576 0.227 . . . . 0.0 110.578 179.656 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.562 HG11 HD23 ' A' ' 59' ' ' LEU . 40.2 t -67.63 127.98 30.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.864 0.364 . . . . 0.0 110.568 -179.126 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 50.9 tttm -72.29 -44.39 62.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.539 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -156.38 153.17 28.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.569 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.627 HD11 ' CD1' ' A' ' 38' ' ' TYR . 0.1 OUTLIER -146.87 131.14 17.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.951 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.605 ' N ' HD13 ' A' ' 59' ' ' LEU . 11.4 tt0 -78.87 130.01 35.19 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.122 179.711 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.422 ' NH2' ' O ' ' A' ' 29' ' ' GLN . 46.9 mtp180 -78.88 174.76 11.17 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.031 -178.714 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 11.3 ttm180 -67.48 -16.84 64.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 123.836 0.71 . . . . 0.0 110.504 179.237 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -87.06 2.79 48.54 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.592 -178.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 73.59 37.37 0.7 Allowed 'General case' 0 N--CA 1.451 -0.408 0 CA-C-O 120.67 0.272 . . . . 0.0 110.984 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 44.8 p -123.98 133.11 53.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.609 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -77.74 123.38 26.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.504 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -114.83 121.07 42.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.437 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -81.85 135.31 35.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.373 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -110.94 152.42 26.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.758 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.59 HD22 ' HB2' ' A' ' 72' ' ' GLU . 21.6 t-20 -94.82 110.27 22.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.81 179.749 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.41 ' HG3' ' HZ2' ' A' ' 71' ' ' LYS . 6.9 pttp -60.29 -26.19 66.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.188 0.518 . . . . 0.0 110.632 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.59 ' HB2' HD22 ' A' ' 70' ' ' ASN . 13.1 mm-40 . . . . . 0 C--N 1.324 -0.512 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.492 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 99.2 mttt . . . . . 0 C--O 1.242 0.685 0 CA-C-O 121.699 0.761 . . . . 0.0 110.371 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.753 ' O ' HG23 ' A' ' 83' ' ' VAL . 0.9 OUTLIER -82.63 -32.14 28.44 Favored 'General case' 0 C--O 1.222 -0.371 0 O-C-N 121.858 -0.526 . . . . 0.0 110.501 179.574 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 54.6 t -54.29 -49.37 64.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 179.557 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 73.2 m80 -68.0 -40.65 82.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.922 0.391 . . . . 0.0 110.68 -179.426 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.83 -22.95 58.41 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.149 179.575 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 79' ' ' GLU . 71.7 t -88.34 136.15 23.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.02 0.438 . . . . 0.0 111.349 -178.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 30.6 mtmm -101.11 164.83 11.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.345 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.658 HG13 ' CD1' ' A' ' 24' ' ' LEU . 15.2 t -125.5 127.99 72.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.942 0.401 . . . . 0.0 110.122 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -91.24 137.66 32.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.701 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.43 HG22 ' O ' ' A' ' 10' ' ' SER . 4.3 m -122.2 134.42 65.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.712 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 48.6 p90 . . . . . 0 C--O 1.221 -0.415 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.551 179.803 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 74.9 m . . . . . 0 CA--C 1.526 0.055 0 CA-C-O 120.969 0.414 . . . . 0.0 110.543 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.7 mp -137.44 134.09 46.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.677 179.356 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.3 t -120.38 177.21 5.12 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.505 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -114.33 131.26 56.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.093 0.473 . . . . 0.0 110.536 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.553 ' HB3' HG13 ' A' ' 80' ' ' VAL . . . -64.79 153.12 40.88 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.73 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.535 ' C ' HG11 ' A' ' 80' ' ' VAL . 3.9 mptt -95.44 -40.33 9.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.299 -179.424 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -146.22 149.29 33.63 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.676 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.712 ' N ' HG21 ' A' ' 80' ' ' VAL . 53.3 t90 -53.73 139.2 33.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.992 -179.257 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.1 t -165.22 160.76 18.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.294 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -46.77 -33.31 4.28 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.539 -179.225 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.467 ' O ' HD23 ' A' ' 24' ' ' LEU . 81.2 mm-40 -67.33 -45.89 75.07 Favored 'General case' 0 C--O 1.219 -0.545 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.67 179.45 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.577 HD13 ' N ' ' A' ' 21' ' ' ILE . 3.2 mm -66.44 -56.91 12.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 -178.633 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.461 ' CD ' ' N ' ' A' ' 23' ' ' ASN . 1.8 tm-20 -39.33 -47.86 1.79 Allowed 'General case' 0 CA--C 1.513 -0.456 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.941 -179.395 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.553 ' ND2' ' CE1' ' A' ' 27' ' ' PHE . 15.4 t-20 -59.86 -50.11 75.09 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.328 0.585 . . . . 0.0 111.084 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.467 HD23 ' O ' ' A' ' 20' ' ' GLU . 3.8 mm? -53.99 -48.75 70.07 Favored 'General case' 0 C--O 1.213 -0.828 0 C-N-CA 120.474 -0.49 . . . . 0.0 110.86 -178.867 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -59.24 -48.89 79.93 Favored 'General case' 0 C--N 1.317 -0.845 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.306 179.564 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.522 ' NH2' ' O ' ' A' ' 70' ' ' ASN . 88.7 mtt180 -60.57 -48.38 82.05 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.644 -0.422 . . . . 0.0 111.146 -179.117 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.553 ' CE1' ' ND2' ' A' ' 23' ' ' ASN . 38.8 m-85 -66.91 -44.36 80.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.018 0.437 . . . . 0.0 110.426 179.586 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -55.85 -41.35 74.19 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.582 179.72 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -64.1 -37.76 88.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.203 178.439 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.671 ' HB2' HD13 ' A' ' 59' ' ' LEU . . . -66.93 -16.79 64.56 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.429 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 102.83 8.72 41.83 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.662 ' CE1' HG21 ' A' ' 41' ' ' VAL . 27.8 m-85 -109.68 146.94 33.99 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-O 121.009 0.433 . . . . 0.0 110.869 -179.718 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.407 ' H ' ' HD2' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -75.28 -35.67 61.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.245 179.608 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.536 ' CG ' ' N ' ' A' ' 35' ' ' GLU . 5.3 t70 -163.29 171.12 16.61 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.385 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.536 ' N ' ' CG ' ' A' ' 34' ' ' ASP . 8.7 pt-20 -50.63 -28.48 8.9 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.554 -179.633 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 83.6 mt -59.01 -48.98 84.88 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 C-N-CA 120.713 -0.395 . . . . 0.0 111.14 -179.365 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -66.45 -39.38 88.84 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.664 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.464 ' CD1' HD21 ' A' ' 59' ' ' LEU . 36.2 t80 -59.47 -47.57 84.98 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.389 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.463 ' O ' ' N ' ' A' ' 43' ' ' GLN . 44.2 mtmt -60.56 -40.01 90.08 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.97 -179.607 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -62.92 -41.66 99.54 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.862 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.662 HG21 ' CE1' ' A' ' 32' ' ' TYR . 78.7 t -63.7 -44.62 98.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.106 -179.561 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.518 ' O ' HG13 ' A' ' 44' ' ' VAL . 25.2 mmtp -91.57 -1.13 57.6 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.782 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 39' ' ' LYS . 97.9 mt-30 50.6 48.63 22.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.77 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.518 HG13 ' O ' ' A' ' 42' ' ' LYS . 28.2 m -127.59 -174.24 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.399 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -141.42 23.44 2.15 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.778 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 4.4 mtp -158.58 139.82 13.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.816 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.0 t -111.94 135.26 51.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -67.29 118.58 10.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.476 -179.329 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 31.3 mtt180 -137.04 166.08 24.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.573 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.509 ' O ' ' N ' ' A' ' 54' ' ' GLY . 71.8 m95 -95.85 140.61 22.38 Favored Pre-proline 0 C--O 1.218 -0.553 0 C-N-CA 120.288 -0.565 . . . . 0.0 111.101 -179.569 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -65.71 -30.52 50.44 Favored 'Trans proline' 0 C--N 1.302 -1.914 0 C-N-CA 122.446 2.098 . . . . 0.0 112.697 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.492 ' OE1' ' CE ' ' A' ' 71' ' ' LYS . 96.3 mt-10 -52.59 -49.68 64.56 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.681 -178.221 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.514 ' OG1' ' CD2' ' A' ' 55' ' ' TYR . 71.3 p -125.2 -31.04 3.11 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.961 -0.296 . . . . 0.0 111.036 179.557 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 50' ' ' TRP . . . 94.95 18.87 32.89 Favored Glycine 0 N--CA 1.464 0.534 0 C-N-CA 120.669 -0.776 . . . . 0.0 111.335 -179.67 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.514 ' CD2' ' OG1' ' A' ' 53' ' ' THR . 25.0 m-85 -81.4 158.36 24.66 Favored 'General case' 0 CA--C 1.515 -0.373 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.981 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.515 ' O ' ' NH1' ' A' ' 26' ' ' ARG . 87.2 t -61.59 122.48 12.32 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.681 -178.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 44.5 tttm -72.96 -45.38 58.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.556 179.525 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -151.79 153.04 33.5 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.596 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.671 HD13 ' HB2' ' A' ' 30' ' ' ALA . 0.4 OUTLIER -146.07 138.04 25.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.779 179.577 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.611 ' H ' HD23 ' A' ' 59' ' ' LEU . 22.1 tt0 -85.21 132.64 34.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.952 0.406 . . . . 0.0 110.494 179.52 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.1 mmm180 -76.42 166.32 23.58 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.789 -179.477 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 10.1 mtt-85 -66.26 -7.1 16.39 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.235 179.492 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.438 ' O ' ' CB ' ' A' ' 64' ' ' ASN . 98.0 m-20 -101.87 8.35 41.27 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.17 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.438 ' CB ' ' O ' ' A' ' 63' ' ' ASP . 2.1 m-20 79.76 -2.95 2.06 Favored 'General case' 0 C--O 1.233 0.228 0 O-C-N 123.284 0.365 . . . . 0.0 110.679 179.506 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 24.3 p -80.86 126.68 31.64 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.57 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -71.97 131.14 42.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.528 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -119.93 116.64 26.2 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.01 0.433 . . . . 0.0 110.259 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -82.42 139.34 34.07 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.485 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -114.22 150.95 33.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.982 179.413 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.522 ' O ' ' NH2' ' A' ' 26' ' ' ARG . 5.0 p-10 -98.17 124.2 42.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.596 179.595 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.492 ' CE ' ' OE1' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -64.3 -17.36 63.58 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.379 0.609 . . . . 0.0 110.627 179.423 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 . . . . . 0 C--N 1.321 -0.673 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 -179.803 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.9 mmmt . . . . . 0 N--CA 1.456 -0.164 0 CA-C-O 120.868 0.366 . . . . 0.0 110.678 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 83' ' ' VAL . 5.5 mm-40 -80.41 -30.94 37.72 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.968 -0.293 . . . . 0.0 110.478 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.712 HG21 ' N ' ' A' ' 17' ' ' TRP . 55.5 t -58.35 -41.83 82.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 179.203 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 77.9 m80 -69.34 -40.99 77.21 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.436 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 30.9 mttm -76.21 -27.6 56.9 Favored 'General case' 0 CA--C 1.528 0.127 0 CA-C-O 120.863 0.363 . . . . 0.0 110.798 179.377 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.476 ' N ' ' O ' ' A' ' 79' ' ' GLU . 73.8 t -88.45 135.61 25.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.786 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 14.0 mttp -113.08 157.55 21.45 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.295 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 60.4 t -119.17 122.51 69.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.43 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.585 ' O ' ' CD1' ' A' ' 86' ' ' TYR . 0.2 OUTLIER -78.83 148.56 32.8 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.675 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.0 m -128.62 125.82 64.19 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.461 179.588 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 22.0 p90 . . . . . 0 C--O 1.221 -0.412 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.605 179.783 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 55.6 m . . . . . 0 N--CA 1.456 -0.134 0 CA-C-O 120.853 0.359 . . . . 0.0 110.632 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.6 mp -131.57 133.58 61.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.414 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.6 t -123.91 178.77 5.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.547 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -116.7 131.14 57.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.603 179.761 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.459 ' HB2' HD12 ' A' ' 21' ' ' ILE . . . -64.57 150.22 47.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.724 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt -92.63 -39.85 11.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.383 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.0 tttp -135.06 -172.14 2.98 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.736 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.417 ' HE1' ' HB2' ' A' ' 22' ' ' GLU . 63.2 t90 -96.37 124.52 40.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.704 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.479 ' O ' ' N ' ' A' ' 21' ' ' ILE . 52.8 m -148.78 152.6 36.82 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.677 179.488 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -42.74 -26.33 0.12 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.969 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.419 ' N ' ' C ' ' A' ' 18' ' ' SER . 98.1 mt-10 -69.86 -40.89 75.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.472 179.317 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.479 ' N ' ' O ' ' A' ' 18' ' ' SER . 6.8 mm -71.85 -59.26 3.59 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.37 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.067 -179.57 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.536 ' OE1' ' N ' ' A' ' 23' ' ' ASN . 3.1 tm-20 -45.1 -47.18 12.06 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.199 -178.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.536 ' N ' ' OE1' ' A' ' 22' ' ' GLU . 18.5 t-20 -60.0 -51.36 69.98 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.284 -179.702 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.801 ' CD1' HG13 ' A' ' 85' ' ' VAL . 75.9 mt -56.87 -40.04 75.45 Favored 'General case' 0 CA--C 1.51 -0.566 0 C-N-CA 120.332 -0.547 . . . . 0.0 110.488 -178.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -60.98 -49.11 78.78 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.561 178.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.407 ' NH2' ' O ' ' A' ' 70' ' ' ASN . 93.5 mtt180 -60.95 -47.51 86.12 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.955 -179.281 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -65.43 -47.18 77.09 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.486 179.513 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -55.7 -40.42 72.36 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.819 -179.692 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -60.8 -40.0 91.03 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.866 0.365 . . . . 0.0 110.024 178.614 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.86 -17.32 64.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.347 179.572 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 104.25 6.68 41.71 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.653 ' CE1' HG21 ' A' ' 41' ' ' VAL . 28.6 m-85 -104.91 146.18 29.38 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 120.89 0.376 . . . . 0.0 111.135 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.8 -35.24 57.76 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.453 179.555 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -164.79 172.15 13.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.535 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -49.98 -31.34 12.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.627 -178.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 88.7 mt -56.97 -49.55 78.89 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 C-N-CA 120.548 -0.461 . . . . 0.0 111.007 -178.674 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -64.84 -39.84 94.21 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.994 0.426 . . . . 0.0 110.444 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.587 ' CD1' HD11 ' A' ' 59' ' ' LEU . 34.4 t80 -59.93 -45.88 91.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.084 179.58 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.567 ' O ' ' N ' ' A' ' 43' ' ' GLN . 60.4 mttp -58.72 -39.72 81.64 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.031 -179.162 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.536 ' O ' ' NE2' ' A' ' 43' ' ' GLN . 62.9 tt0 -60.88 -43.21 98.75 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.55 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.653 HG21 ' CE1' ' A' ' 32' ' ' TYR . 79.7 t -62.1 -43.71 98.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.121 -179.371 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.57 ' O ' HG13 ' A' ' 44' ' ' VAL . 31.7 mmtp -95.15 -0.63 53.14 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.763 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.567 ' N ' ' O ' ' A' ' 39' ' ' LYS . 83.0 mm-40 48.33 52.08 14.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.943 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.57 HG13 ' O ' ' A' ' 42' ' ' LYS . 31.5 m -127.38 -175.17 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.532 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -137.21 26.6 2.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.957 -179.347 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 19.5 ptm -162.45 152.23 16.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.773 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 15.9 t -125.07 134.52 66.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.012 179.6 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -60.05 129.23 40.76 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.672 -179.381 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -144.61 157.28 44.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.992 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.4 ' HE1' ' HA ' ' A' ' 57' ' ' LYS . 69.8 m95 -95.81 141.45 23.19 Favored Pre-proline 0 C--O 1.22 -0.475 0 C-N-CA 120.046 -0.662 . . . . 0.0 111.24 -179.786 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -65.83 -27.84 51.37 Favored 'Trans proline' 0 C--N 1.302 -1.872 0 C-N-CA 122.37 2.047 . . . . 0.0 112.557 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -53.46 -52.94 57.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.705 -178.403 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.481 ' OG1' ' CD2' ' A' ' 55' ' ' TYR . 30.3 p -127.2 -31.99 2.52 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.526 -0.307 . . . . 0.0 110.974 179.721 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 99.84 21.28 14.38 Favored Glycine 0 N--CA 1.464 0.541 0 C-N-CA 120.578 -0.82 . . . . 0.0 111.279 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.481 ' CD2' ' OG1' ' A' ' 53' ' ' THR . 28.6 m-85 -81.17 155.21 26.3 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.552 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 94.2 t -61.69 127.29 21.25 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.157 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.495 -179.383 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.4 ' HA ' ' HE1' ' A' ' 50' ' ' TRP . 50.5 tttm -73.65 -47.16 42.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.872 179.607 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -154.38 151.64 29.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.709 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.607 HD13 ' N ' ' A' ' 60' ' ' GLN . 0.1 OUTLIER -147.28 130.46 16.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.82 179.387 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.607 ' N ' HD13 ' A' ' 59' ' ' LEU . 33.5 tt0 -78.34 135.07 37.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.003 0.43 . . . . 0.0 110.671 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -76.82 171.68 14.34 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.959 -179.226 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.4 -6.66 31.48 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.249 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -100.15 10.64 40.94 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.087 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 69.81 37.98 1.72 Allowed 'General case' 0 N--CA 1.455 -0.184 0 CA-C-O 120.587 0.232 . . . . 0.0 111.135 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 35.8 p -120.64 128.78 53.32 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.395 179.383 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -75.46 124.09 26.56 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.798 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -118.15 123.98 46.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.3 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -92.94 132.7 36.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.485 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -105.33 155.67 18.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.913 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.407 ' O ' ' NH2' ' A' ' 26' ' ' ARG . 2.7 p30 -97.05 126.91 42.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.349 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.6 pttt -69.07 -21.51 64.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.376 0.608 . . . . 0.0 110.668 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 . . . . . 0 C--N 1.323 -0.587 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.158 -179.564 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.237 0.428 0 CA-C-O 120.951 0.405 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.718 ' O ' HG23 ' A' ' 83' ' ' VAL . 8.3 mm-40 -80.56 -35.86 33.8 Favored 'General case' 0 C--O 1.218 -0.557 0 CA-C-O 121.204 0.526 . . . . 0.0 110.742 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 89.7 t -59.26 -42.23 86.46 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 C-N-CA 120.145 -0.622 . . . . 0.0 110.3 -179.589 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 77.7 m-70 -70.37 -42.34 71.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.971 -0.558 . . . . 0.0 112.409 -178.472 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.82 -19.15 52.78 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.33 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.718 HG23 ' O ' ' A' ' 79' ' ' GLU . 59.7 t -83.97 135.68 24.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.112 179.565 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 58.2 pttt -107.55 156.43 19.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.223 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.801 HG13 ' CD1' ' A' ' 24' ' ' LEU . 20.7 t -125.97 125.09 67.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.88 0.371 . . . . 0.0 110.147 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.574 ' O ' ' CD1' ' A' ' 86' ' ' TYR . 0.3 OUTLIER -90.27 145.58 24.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.774 -179.812 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.2 m -129.37 124.74 60.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.975 0.417 . . . . 0.0 110.759 179.466 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 51.8 p90 . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.951 -1.023 . . . . 0.0 110.417 179.828 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 74.7 m . . . . . 0 N--CA 1.456 -0.132 0 CA-C-O 120.777 0.322 . . . . 0.0 110.679 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.4 mp -129.06 133.89 65.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.734 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.2 t -125.39 178.25 5.72 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.528 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.3 mmt180 -117.63 133.05 56.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.64 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.521 ' HB2' HD12 ' A' ' 21' ' ' ILE . . . -67.09 148.79 51.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.656 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.3 mtpp -117.93 14.26 14.15 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.504 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.631 ' N ' HG11 ' A' ' 80' ' ' VAL . 20.3 ttmt -169.53 165.76 10.27 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.761 179.19 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 59.3 t90 -95.66 123.45 39.22 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.838 0.351 . . . . 0.0 111.341 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.8 m -154.18 155.62 35.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.65 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -44.12 -28.04 0.45 Allowed 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -69.75 -45.62 67.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.939 0.4 . . . . 0.0 110.719 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.521 HD12 ' HB2' ' A' ' 14' ' ' ALA . 21.3 mm -74.38 -61.91 1.52 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.275 0 C-N-CA 120.496 -0.481 . . . . 0.0 109.967 -179.072 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.6 tp10 -44.59 -47.54 10.34 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-O 120.926 0.393 . . . . 0.0 110.178 -178.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -56.71 -49.64 74.55 Favored 'General case' 0 C--N 1.317 -0.806 0 C-N-CA 120.412 -0.515 . . . . 0.0 110.691 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.664 ' CD1' HG13 ' A' ' 85' ' ' VAL . 47.3 mt -54.58 -39.56 67.91 Favored 'General case' 0 C--O 1.212 -0.885 0 C-N-CA 120.561 -0.455 . . . . 0.0 110.564 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 78.1 t80 -61.31 -47.76 84.44 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 120.716 0.293 . . . . 0.0 110.394 178.13 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.495 ' O ' ' HG3' ' A' ' 29' ' ' GLN . 66.6 mtt180 -60.58 -48.5 81.5 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-O 121.238 0.542 . . . . 0.0 110.46 -179.026 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.504 ' CD2' HD21 ' A' ' 59' ' ' LEU . 40.4 m-85 -67.74 -45.19 75.72 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.187 0.518 . . . . 0.0 110.714 179.472 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -57.61 -46.38 84.16 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.405 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.495 ' HG3' ' O ' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -65.22 -20.6 66.51 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.836 0.35 . . . . 0.0 110.74 -179.837 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.66 -12.58 53.62 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.104 -179.577 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 101.67 0.81 52.77 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.421 -0.672 . . . . 0.0 111.421 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.509 ' CD2' ' OE2' ' A' ' 37' ' ' GLU . 23.9 m-85 -103.49 147.26 27.37 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 120.971 0.415 . . . . 0.0 110.326 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.44 -37.84 42.71 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.937 179.115 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.59 ' OD2' HD12 ' A' ' 36' ' ' ILE . 26.3 p-10 -163.3 171.45 16.12 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.5 179.449 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -48.15 -29.91 4.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.515 -179.521 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.59 HD12 ' OD2' ' A' ' 34' ' ' ASP . 93.6 mt -56.45 -50.08 74.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 C-N-CA 120.627 -0.429 . . . . 0.0 111.095 -178.38 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.509 ' OE2' ' CD2' ' A' ' 32' ' ' TYR . 10.6 tt0 -65.03 -39.09 92.85 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.99 0.424 . . . . 0.0 110.639 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -60.51 -45.21 94.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.886 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.555 ' O ' ' N ' ' A' ' 43' ' ' GLN . 2.9 mtpm? -61.52 -39.81 92.36 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.08 -179.341 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -60.52 -46.28 90.72 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.743 -0.383 . . . . 0.0 111.188 -179.274 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 51.5 t -64.25 -41.26 91.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.436 179.318 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.562 ' O ' HG13 ' A' ' 44' ' ' VAL . 19.4 mmtp -89.27 -5.09 57.87 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.102 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.555 ' N ' ' O ' ' A' ' 39' ' ' LYS . 66.6 mt-30 50.26 48.29 22.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.774 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.562 HG13 ' O ' ' A' ' 42' ' ' LYS . 28.6 m -128.92 -173.92 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.51 -179.699 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -139.46 18.81 2.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.728 -179.64 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.92 151.98 24.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.647 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 17.1 t -124.5 135.53 63.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.09 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -66.76 131.23 45.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.746 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 55.0 mtt180 -140.97 167.13 22.92 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.568 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.455 ' O ' ' N ' ' A' ' 54' ' ' GLY . 70.2 m95 -96.95 139.69 21.69 Favored Pre-proline 0 C--O 1.219 -0.501 0 C-N-CA 120.373 -0.531 . . . . 0.0 111.133 -179.655 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -65.06 -28.37 57.23 Favored 'Trans proline' 0 C--N 1.302 -1.904 0 C-N-CA 122.68 2.254 . . . . 0.0 112.393 -179.584 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -51.22 -52.92 40.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.746 -178.447 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.539 ' OG1' ' CD2' ' A' ' 55' ' ' TYR . 33.7 p -126.9 -28.64 2.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.842 0.353 . . . . 0.0 110.883 179.425 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 50' ' ' TRP . . . 94.61 23.49 21.06 Favored Glycine 0 N--CA 1.462 0.383 0 C-N-CA 120.666 -0.778 . . . . 0.0 111.326 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.539 ' CD2' ' OG1' ' A' ' 53' ' ' THR . 24.9 m-85 -80.58 161.55 24.7 Favored 'General case' 0 CA--C 1.516 -0.353 0 C-N-CA 121.061 -0.256 . . . . 0.0 110.836 179.747 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.434 HG11 HD13 ' A' ' 59' ' ' LEU . 89.5 t -60.38 124.62 15.08 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.231 -179.343 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 47.4 tttm -77.95 -48.93 15.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.134 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 58.4 pttt -142.72 144.87 32.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.244 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.504 HD21 ' CD2' ' A' ' 27' ' ' PHE . 6.1 tp -146.87 122.23 10.29 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.097 0.475 . . . . 0.0 110.667 179.461 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -80.54 134.07 35.89 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.362 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.7 mtm180 -74.84 169.57 17.65 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.746 -178.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 -69.39 -5.99 27.16 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.29 178.688 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -100.19 11.49 39.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.784 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 39.7 m-20 66.13 36.69 5.49 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 123.476 0.485 . . . . 0.0 111.126 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 20.0 p -117.06 126.44 52.86 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.242 178.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -70.03 122.1 18.72 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.633 -179.425 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -123.53 113.14 18.33 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.024 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -82.94 137.81 34.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.769 -179.52 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.461 ' OH ' ' CG ' ' A' ' 29' ' ' GLN . 45.6 m-85 -106.03 153.82 21.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.382 179.337 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -97.11 137.31 36.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.797 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.7 pttm -78.67 -26.5 45.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.312 0.577 . . . . 0.0 110.524 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 . . . . . 0 C--N 1.323 -0.563 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 179.34 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.5 pttp . . . . . 0 CA--C 1.528 0.126 0 CA-C-O 120.954 0.407 . . . . 0.0 110.815 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.62 ' O ' HG23 ' A' ' 83' ' ' VAL . 6.9 mt-10 -82.99 -31.83 27.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.955 0.407 . . . . 0.0 110.442 179.748 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.631 HG11 ' N ' ' A' ' 16' ' ' LYS . 58.6 t -56.27 -47.68 80.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 C-N-CA 120.433 -0.507 . . . . 0.0 110.234 -179.562 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 60.4 t-80 -71.11 -41.55 70.41 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.045 -179.122 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.91 -25.29 63.61 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.992 179.719 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 79' ' ' GLU . 77.2 t -86.15 137.28 21.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.644 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 46.8 pttt -106.82 159.3 16.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.315 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.664 HG13 ' CD1' ' A' ' 24' ' ' LEU . 2.6 t -125.3 112.82 32.71 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.345 179.432 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.439 ' OH ' ' OD2' ' A' ' 34' ' ' ASP . 3.2 p90 -82.02 141.74 32.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.362 -179.702 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.7 m -127.58 122.85 60.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 121.136 0.493 . . . . 0.0 110.728 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 46.9 p90 . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.936 -1.03 . . . . 0.0 110.47 179.836 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 70.0 m . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.753 0.311 . . . . 0.0 110.664 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.5 mp -129.0 131.12 68.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.591 179.508 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 44.0 t -119.08 176.17 5.43 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.446 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -111.33 129.83 55.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.709 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.52 144.72 53.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.414 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.579 ' C ' HG11 ' A' ' 80' ' ' VAL . 6.4 mptt -99.85 -41.68 7.14 Favored 'General case' 0 CA--C 1.523 -0.094 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.846 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.1 tttp -132.27 -173.7 3.23 Favored 'General case' 0 C--O 1.227 -0.107 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.011 179.713 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.435 ' NE1' ' HB2' ' A' ' 22' ' ' GLU . 35.1 t90 -98.25 130.38 44.96 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.899 179.733 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.403 ' O ' ' N ' ' A' ' 21' ' ' ILE . 83.5 p -160.74 159.57 30.29 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.286 178.73 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -43.07 -31.45 0.55 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.537 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -69.26 -43.6 73.61 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.837 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.403 ' N ' ' O ' ' A' ' 18' ' ' SER . 11.8 mm -77.49 -61.43 1.71 Allowed 'Isoleucine or valine' 0 CA--C 1.519 -0.227 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.274 -179.538 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.435 ' HB2' ' NE1' ' A' ' 17' ' ' TRP . 88.3 tt0 -43.75 -46.33 7.58 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-O 121.279 0.561 . . . . 0.0 109.943 -178.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -59.75 -49.36 78.03 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.67 179.092 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.784 ' CD1' HG13 ' A' ' 85' ' ' VAL . 23.9 mt -55.16 -39.19 69.23 Favored 'General case' 0 C--O 1.219 -0.545 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.178 -179.336 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -60.17 -48.2 82.72 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.402 178.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.528 ' NH2' ' O ' ' A' ' 70' ' ' ASN . 94.1 mtt180 -60.82 -49.45 77.44 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.547 -179.125 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.482 ' CD2' HD21 ' A' ' 59' ' ' LEU . 30.7 m-85 -64.62 -47.43 78.58 Favored 'General case' 0 N--CA 1.462 0.173 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.728 179.629 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.427 ' NE2' ' O ' ' A' ' 84' ' ' LYS . 62.7 mt-30 -54.6 -42.48 71.17 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 -179.544 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -60.6 -38.73 85.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.36 178.546 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.22 -19.07 64.72 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.3 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.474 ' O ' ' CZ ' ' A' ' 62' ' ' ARG . . . 105.84 8.88 33.69 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 111.316 -0.714 . . . . 0.0 111.316 -179.592 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.704 ' CE1' HG21 ' A' ' 41' ' ' VAL . 23.5 m-85 -110.8 146.8 35.76 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 121.086 0.47 . . . . 0.0 110.819 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.69 -34.65 45.99 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.496 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.426 ' OD2' ' N ' ' A' ' 35' ' ' GLU . 17.7 t70 -165.46 175.13 9.3 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.669 -179.734 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.526 ' OE2' ' NH2' ' A' ' 49' ' ' ARG . 98.0 mt-10 -48.99 -36.83 18.54 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.167 -178.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 18.7 mm -49.32 -59.22 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.121 -179.545 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 48.4 tp10 -60.54 -39.27 87.28 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.823 0.344 . . . . 0.0 110.74 -178.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -59.87 -46.02 90.65 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.231 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.52 ' O ' ' N ' ' A' ' 43' ' ' GLN . 62.9 mttm -60.11 -41.11 91.87 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.651 -0.25 . . . . 0.0 110.933 -179.215 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 -60.44 -43.68 96.56 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.793 0.33 . . . . 0.0 110.595 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.704 HG21 ' CE1' ' A' ' 32' ' ' TYR . 70.2 t -61.54 -43.96 97.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.949 -179.494 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.682 ' O ' HG13 ' A' ' 44' ' ' VAL . 28.5 mmtp -93.75 1.0 56.63 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.809 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.52 ' N ' ' O ' ' A' ' 39' ' ' LYS . 95.7 mt-30 46.9 50.42 13.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.77 179.69 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.682 HG13 ' O ' ' A' ' 42' ' ' LYS . 26.7 m -129.74 -173.0 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.568 -179.614 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.516 ' C ' ' NZ ' ' A' ' 39' ' ' LYS . . . -143.76 30.14 1.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.738 -179.675 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.8 mtt -161.94 127.4 3.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 43.6 t -105.21 130.42 56.44 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -60.42 127.68 32.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.965 0.412 . . . . 0.0 110.624 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.526 ' NH2' ' OE2' ' A' ' 35' ' ' GLU . 74.3 mtt180 -144.08 159.29 42.87 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.075 -179.619 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.492 ' O ' ' N ' ' A' ' 54' ' ' GLY . 70.6 m95 -91.04 138.26 26.1 Favored Pre-proline 0 CA--C 1.535 0.384 0 C-N-CA 119.982 -0.687 . . . . 0.0 111.136 -179.621 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -63.8 -32.78 66.84 Favored 'Trans proline' 0 C--N 1.303 -1.855 0 C-N-CA 122.492 2.128 . . . . 0.0 112.923 -178.728 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.676 ' CD ' ' HZ3' ' A' ' 71' ' ' LYS . 47.0 mt-10 -52.33 -48.19 65.59 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.824 -178.532 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -126.09 -37.93 2.21 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.75 0.309 . . . . 0.0 111.111 179.721 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 50' ' ' TRP . . . 101.26 18.1 20.33 Favored Glycine 0 CA--C 1.521 0.463 0 C-N-CA 120.611 -0.804 . . . . 0.0 111.202 -179.333 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -77.44 163.18 26.6 Favored 'General case' 0 CA--C 1.519 -0.238 0 O-C-N 122.437 -0.449 . . . . 0.0 110.509 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.438 HG11 HD13 ' A' ' 59' ' ' LEU . 63.9 t -67.33 122.29 18.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 O-C-N 123.414 0.446 . . . . 0.0 111.025 -178.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -73.69 -51.04 17.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.724 179.366 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 62.4 pttt -145.62 150.15 35.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.234 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.482 HD21 ' CD2' ' A' ' 27' ' ' PHE . 5.4 tp -147.41 141.18 25.7 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 121.125 0.488 . . . . 0.0 110.705 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -93.22 134.07 35.79 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.774 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.432 ' HE ' ' HB2' ' A' ' 67' ' ' PHE . 22.4 mtt180 -76.87 170.3 16.73 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.26 0.552 . . . . 0.0 110.96 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.474 ' CZ ' ' O ' ' A' ' 31' ' ' GLY . 4.5 tpp180 -68.03 -9.33 44.99 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.262 179.398 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.42 ' O ' ' CB ' ' A' ' 64' ' ' ASN . 94.4 m-20 -97.92 7.28 46.61 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.107 -179.609 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.42 ' CB ' ' O ' ' A' ' 63' ' ' ASP . 1.9 m-20 79.03 -6.81 1.85 Allowed 'General case' 0 CA--C 1.52 -0.177 0 O-C-N 123.258 0.349 . . . . 0.0 110.392 179.481 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 18.2 p -75.22 125.39 28.86 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -74.98 128.98 36.85 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.598 -179.561 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.432 ' HB2' ' HE ' ' A' ' 61' ' ' ARG . 33.4 t80 -124.54 116.27 22.19 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 120.961 0.41 . . . . 0.0 109.972 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -81.34 143.34 32.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.399 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -117.55 153.35 33.36 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.732 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.528 ' O ' ' NH2' ' A' ' 26' ' ' ARG . 0.3 OUTLIER -96.66 126.63 41.97 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.029 -179.876 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.676 ' HZ3' ' CD ' ' A' ' 52' ' ' GLU . 13.4 pttt -58.0 -24.66 59.11 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.41 0.624 . . . . 0.0 110.688 -179.544 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.52 ' CB ' ' OD1' ' A' ' 70' ' ' ASN . 2.4 tt0 . . . . . 0 C--N 1.324 -0.501 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.827 -178.472 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.249 0 CA-C-O 121.167 0.508 . . . . 0.0 110.612 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.691 ' O ' HG23 ' A' ' 83' ' ' VAL . 74.5 mt-10 -81.79 -30.08 32.43 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 109.946 -0.391 . . . . 0.0 109.946 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.579 HG11 ' C ' ' A' ' 15' ' ' LYS . 63.8 t -56.79 -47.5 82.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 179.796 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -64.89 -42.94 94.37 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.741 179.595 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 33.5 mtmt -74.84 -24.81 58.66 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.231 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.691 HG23 ' O ' ' A' ' 79' ' ' GLU . 68.3 t -83.88 130.75 35.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.322 0.582 . . . . 0.0 111.56 -179.446 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.427 ' O ' ' NE2' ' A' ' 28' ' ' GLN . 22.6 pttm -109.4 142.76 39.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.109 179.58 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.784 HG13 ' CD1' ' A' ' 24' ' ' LEU . 2.6 t -107.75 124.31 63.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.914 0.387 . . . . 0.0 110.774 -178.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.568 ' O ' ' CD1' ' A' ' 86' ' ' TYR . 0.3 OUTLIER -89.77 146.8 24.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.845 179.807 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 4.2 m -128.45 128.54 68.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.989 0.423 . . . . 0.0 110.406 179.424 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 44.8 p90 . . . . . 0 C--O 1.218 -0.582 0 CA-C-O 118.065 -0.969 . . . . 0.0 110.555 179.869 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 49.2 m . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.968 0.413 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.8 mp -129.63 128.88 66.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.504 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 67.8 m -118.88 175.93 5.52 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.387 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? -117.15 132.63 56.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.637 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.436 ' O ' HG12 ' A' ' 80' ' ' VAL . . . -69.62 151.97 45.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.963 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.637 ' C ' HG11 ' A' ' 80' ' ' VAL . 34.8 mmtm -96.07 -39.75 9.58 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.554 -179.635 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.1 tptm -131.39 -174.88 3.52 Favored 'General case' 0 C--N 1.334 -0.086 0 CA-C-O 121.079 0.466 . . . . 0.0 110.916 179.589 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.419 ' HZ2' ' HH ' ' A' ' 55' ' ' TYR . 66.5 t90 -95.67 125.89 40.56 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.674 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.486 ' O ' ' N ' ' A' ' 21' ' ' ILE . 42.5 t -150.34 151.81 33.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.498 179.786 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -42.15 -27.16 0.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.252 -179.398 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 18' ' ' SER . 98.9 mt-10 -69.47 -40.5 77.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.749 179.374 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.486 ' N ' ' O ' ' A' ' 18' ' ' SER . 4.6 mm -72.76 -59.31 3.51 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.164 -179.004 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.41 ' HB2' ' HE1' ' A' ' 17' ' ' TRP . 32.0 tp10 -48.01 -48.6 32.71 Favored 'General case' 0 CA--C 1.512 -0.503 0 C-N-CA 120.489 -0.484 . . . . 0.0 110.104 -178.728 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -56.61 -52.06 66.28 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 120.488 -0.485 . . . . 0.0 111.079 -179.322 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.791 ' CD1' HG13 ' A' ' 85' ' ' VAL . 64.7 mt -55.65 -40.39 72.17 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.097 -179.04 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -60.95 -48.13 83.23 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.802 0.334 . . . . 0.0 110.152 178.714 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.456 ' NH1' ' O ' ' A' ' 56' ' ' VAL . 87.2 mtt180 -61.95 -50.09 73.53 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.631 -0.427 . . . . 0.0 111.113 -179.265 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.412 ' CE1' HG21 ' A' ' 56' ' ' VAL . 33.4 m-85 -63.19 -47.77 81.18 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.3 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -55.89 -40.59 73.22 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.523 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 73.5 mm-40 -63.58 -38.41 91.04 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.475 177.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.673 ' HB2' HD13 ' A' ' 59' ' ' LEU . . . -68.87 -17.48 63.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.478 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.508 ' O ' ' NE ' ' A' ' 62' ' ' ARG . . . 104.97 7.99 37.36 Favored Glycine 0 CA--C 1.527 0.82 0 N-CA-C 111.255 -0.738 . . . . 0.0 111.255 -179.711 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.637 ' CE1' HG21 ' A' ' 41' ' ' VAL . 25.6 m-85 -111.98 147.05 36.74 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-O 120.936 0.398 . . . . 0.0 110.449 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -77.08 -34.31 56.99 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.847 179.799 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.455 ' OD2' ' OH ' ' A' ' 86' ' ' TYR . 51.7 p-10 -165.82 176.54 7.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.514 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -49.7 -37.49 29.21 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.502 -179.453 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 31.8 mm -52.8 -56.42 7.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.084 -179.202 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 52.4 tp10 -60.5 -39.98 89.69 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.006 0.432 . . . . 0.0 110.486 -179.504 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.484 ' CE2' HG22 ' A' ' 47' ' ' VAL . 43.4 t80 -60.99 -47.42 86.52 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.461 179.64 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.476 ' O ' ' N ' ' A' ' 43' ' ' GLN . 43.9 mttm -60.42 -41.14 93.33 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.12 -178.795 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -62.36 -42.6 99.53 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.636 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.637 HG21 ' CE1' ' A' ' 32' ' ' TYR . 75.8 t -62.56 -44.94 99.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.203 -179.372 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.683 ' O ' HG13 ' A' ' 44' ' ' VAL . 72.3 mmtt -94.8 4.2 54.1 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 -179.647 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.476 ' N ' ' O ' ' A' ' 39' ' ' LYS . 19.3 mp0 46.15 50.49 11.82 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.619 179.195 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.683 HG13 ' O ' ' A' ' 42' ' ' LYS . 26.7 m -127.6 -171.61 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.548 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.448 ' C ' ' NZ ' ' A' ' 39' ' ' LYS . . . -144.77 22.36 1.61 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.762 -179.591 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.47 ' SD ' ' O ' ' A' ' 46' ' ' MET . 0.0 OUTLIER -161.27 143.22 11.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.678 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.484 HG22 ' CE2' ' A' ' 38' ' ' TYR . 12.2 t -116.94 137.38 51.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.239 -179.722 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -69.06 120.62 15.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.319 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.492 ' CZ ' ' O ' ' A' ' 54' ' ' GLY . 22.2 mtm180 -136.52 165.87 24.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.544 -179.376 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.525 ' O ' ' N ' ' A' ' 54' ' ' GLY . 68.9 m95 -94.15 140.43 22.85 Favored Pre-proline 0 C--O 1.217 -0.637 0 C-N-CA 120.362 -0.535 . . . . 0.0 111.081 -179.457 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -65.78 -30.69 49.62 Favored 'Trans proline' 0 C--N 1.3 -1.976 0 C-N-CA 122.456 2.104 . . . . 0.0 112.61 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 52.3 mp0 -56.37 -50.55 71.23 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.153 -178.438 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.412 ' HB ' ' CE2' ' A' ' 55' ' ' TYR . 24.7 p -119.57 -31.06 4.68 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.706 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 50' ' ' TRP . . . 90.54 18.46 48.58 Favored Glycine 0 N--CA 1.465 0.586 0 C-N-CA 120.62 -0.8 . . . . 0.0 111.112 -179.587 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.419 ' HH ' ' HZ2' ' A' ' 17' ' ' TRP . 23.3 m-85 -83.75 159.67 21.42 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.81 0.338 . . . . 0.0 111.088 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.456 ' O ' ' NH1' ' A' ' 26' ' ' ARG . 87.4 t -59.19 124.26 13.08 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.604 -178.825 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.403 ' HA ' ' HE1' ' A' ' 50' ' ' TRP . 77.5 tttt -77.67 -48.76 16.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.768 179.623 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 62.3 pttt -141.2 146.19 36.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.024 -179.548 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.673 HD13 ' HB2' ' A' ' 30' ' ' ALA . 0.4 OUTLIER -145.41 137.82 25.82 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.955 179.325 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.47 ' H ' HD23 ' A' ' 59' ' ' LEU . 14.0 tt0 -90.07 131.63 35.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.883 0.373 . . . . 0.0 110.317 179.443 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.9 mmm180 -73.77 165.28 25.39 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 -179.292 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.508 ' NE ' ' O ' ' A' ' 31' ' ' GLY . 4.5 mtt-85 -65.91 -6.57 12.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.307 179.616 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.433 ' O ' ' CB ' ' A' ' 64' ' ' ASN . 95.8 m-20 -100.48 7.75 43.96 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.918 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.433 ' CB ' ' O ' ' A' ' 63' ' ' ASP . 3.5 m-20 79.76 -6.46 1.79 Allowed 'General case' 0 CA--C 1.522 -0.112 0 O-C-N 123.355 0.409 . . . . 0.0 110.567 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 25.2 p -76.2 125.67 29.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.375 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -70.86 129.13 38.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.707 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -122.17 112.84 18.69 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.337 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -82.63 141.87 32.17 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.482 179.637 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -114.28 151.02 33.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.312 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.481 ' OD1' ' CB ' ' A' ' 72' ' ' GLU . 0.3 OUTLIER -98.9 125.42 44.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.229 179.554 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 30.5 pttt -56.76 -17.86 10.58 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.171 0.51 . . . . 0.0 110.378 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.481 ' CB ' ' OD1' ' A' ' 70' ' ' ASN . 1.5 mt-10 . . . . . 0 C--N 1.324 -0.543 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 -179.52 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 55.1 pttt . . . . . 0 C--O 1.227 -0.098 0 CA-C-O 120.982 0.42 . . . . 0.0 110.493 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.756 ' O ' HG23 ' A' ' 83' ' ' VAL . 3.7 mm-40 -83.49 -34.91 25.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.84 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.637 HG11 ' C ' ' A' ' 15' ' ' LYS . 54.5 t -57.32 -44.15 83.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 78.8 m80 -71.01 -40.74 71.62 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.967 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.52 -27.88 63.51 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.866 0.365 . . . . 0.0 110.777 179.646 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.756 HG23 ' O ' ' A' ' 79' ' ' GLU . 77.8 t -79.05 134.81 27.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.284 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.27 143.3 35.72 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.593 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.791 HG13 ' CD1' ' A' ' 24' ' ' LEU . 16.4 t -115.05 115.48 49.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 120.867 0.365 . . . . 0.0 110.079 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.575 ' O ' ' CD1' ' A' ' 86' ' ' TYR . 0.2 OUTLIER -85.0 150.28 25.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.932 -179.675 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.533 ' O ' HG13 ' A' ' 87' ' ' VAL . 4.8 p -129.31 123.11 57.39 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.286 179.565 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 31.5 p90 . . . . . 0 C--O 1.218 -0.587 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.378 179.915 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 69.5 m . . . . . 0 N--CA 1.464 0.257 0 CA-C-O 120.734 0.302 . . . . 0.0 110.611 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.5 mp -131.47 130.75 62.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.694 179.652 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 64.3 m -123.02 178.67 4.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.631 -179.446 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.3 mtm105 -115.52 131.94 56.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.674 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.23 152.48 45.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.578 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? -95.23 -39.97 9.8 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.899 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.782 ' CD ' ' H ' ' A' ' 17' ' ' TRP . 0.1 OUTLIER -137.06 -171.09 2.86 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.886 -179.883 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.782 ' H ' ' CD ' ' A' ' 16' ' ' LYS . 48.6 t90 -96.59 133.21 41.37 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.466 -0.788 . . . . 0.0 112.1 179.701 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 21' ' ' ILE . 84.1 p -157.01 155.8 31.86 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.199 178.215 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.4 pt-20 -42.47 -27.96 0.19 Allowed 'General case' 0 C--O 1.237 0.399 0 CA-C-O 120.937 0.399 . . . . 0.0 110.254 -179.605 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.572 ' O ' HD23 ' A' ' 24' ' ' LEU . 88.3 tt0 -69.73 -43.76 71.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.47 179.495 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.491 ' O ' ' N ' ' A' ' 24' ' ' LEU . 15.6 mm -73.28 -61.19 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 C-N-CA 120.606 -0.438 . . . . 0.0 110.417 -178.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.545 ' OE1' ' CE1' ' A' ' 55' ' ' TYR . 85.4 tt0 -37.85 -46.24 0.92 Allowed 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 -179.108 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -62.25 -46.19 89.94 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.661 178.561 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.572 HD23 ' O ' ' A' ' 20' ' ' GLU . 2.2 mm? -55.38 -46.33 76.52 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.823 -179.735 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -56.23 -49.71 73.35 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 121.004 -0.278 . . . . 0.0 110.624 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.558 ' NH2' ' O ' ' A' ' 70' ' ' ASN . 93.4 mtt180 -60.11 -46.58 89.14 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.203 -179.502 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -62.56 -49.18 76.29 Favored 'General case' 0 CA--C 1.528 0.124 0 CA-C-O 120.734 0.302 . . . . 0.0 110.537 179.698 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -55.96 -42.11 75.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.087 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 89.8 mm-40 -63.35 -39.0 93.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.847 178.638 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 62' ' ' ARG . . . -73.84 -18.33 60.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.035 0.445 . . . . 0.0 110.625 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.575 ' HA3' ' HE ' ' A' ' 62' ' ' ARG . . . 103.32 5.65 45.85 Favored Glycine 0 CA--C 1.527 0.796 0 N-CA-C 111.311 -0.715 . . . . 0.0 111.311 -179.713 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -102.87 149.93 24.01 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 121.14 0.495 . . . . 0.0 110.501 179.192 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.428 ' CD ' ' H ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -86.34 -39.45 16.45 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.315 -179.816 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.488 ' CG ' ' N ' ' A' ' 35' ' ' GLU . 31.8 t70 -166.61 173.56 9.61 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.398 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.488 ' N ' ' CG ' ' A' ' 34' ' ' ASP . 4.5 mm-40 -42.79 -35.03 1.04 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.644 -179.235 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 88.8 mt -54.16 -49.06 64.8 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 C-N-CA 120.67 -0.412 . . . . 0.0 111.277 -177.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -68.22 -42.51 79.69 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 120.924 -0.311 . . . . 0.0 111.586 -179.474 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -59.22 -47.4 85.46 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.222 -179.084 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.481 ' O ' ' N ' ' A' ' 43' ' ' GLN . 58.4 mttp -61.35 -41.34 96.89 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.262 -179.188 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -63.25 -42.07 99.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.846 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.0 t -61.7 -45.97 97.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.399 -179.5 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.644 ' O ' HG13 ' A' ' 44' ' ' VAL . 32.7 mmtp -94.17 0.81 56.0 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.664 -179.651 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.481 ' N ' ' O ' ' A' ' 39' ' ' LYS . 77.3 mm-40 48.61 51.33 15.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.931 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.644 HG13 ' O ' ' A' ' 42' ' ' LYS . 32.7 m -129.67 -173.2 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.404 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -138.05 8.24 2.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.63 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -138.71 136.45 35.8 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.992 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 17.7 t -108.52 137.94 37.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.38 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -70.68 118.11 13.05 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.212 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.522 ' NE ' ' O ' ' A' ' 54' ' ' GLY . 33.1 mtp180 -140.62 164.5 30.0 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.544 -179.578 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.468 ' O ' ' HA2' ' A' ' 54' ' ' GLY . 80.2 m95 -92.18 143.55 27.68 Favored Pre-proline 0 C--O 1.219 -0.521 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.121 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -66.8 -34.22 31.61 Favored 'Trans proline' 0 C--N 1.303 -1.855 0 C-N-CA 122.566 2.178 . . . . 0.0 112.355 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -46.07 -48.12 17.04 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.648 -178.48 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.492 ' OG1' ' CD2' ' A' ' 55' ' ' TYR . 23.2 p -131.22 -34.45 1.42 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.23 179.544 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.522 ' O ' ' NE ' ' A' ' 49' ' ' ARG . . . 100.64 21.77 12.14 Favored Glycine 0 N--CA 1.463 0.483 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 -179.624 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.545 ' CE1' ' OE1' ' A' ' 22' ' ' GLU . 29.3 m-85 -79.88 158.28 26.75 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 120.635 0.255 . . . . 0.0 110.86 179.501 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.498 HG11 HD13 ' A' ' 59' ' ' LEU . 56.7 t -60.82 120.66 6.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.598 -179.102 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 45.4 tttm -74.79 -49.29 21.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.663 179.109 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 62.4 pttt -143.34 148.7 36.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.261 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.498 HD13 HG11 ' A' ' 56' ' ' VAL . 6.6 tp -146.87 130.82 17.18 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.796 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -81.25 133.49 35.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.601 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.445 HH11 ' HD2' ' A' ' 61' ' ' ARG . 3.6 mtm105 -75.6 168.07 20.7 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.493 -178.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.575 ' HE ' ' HA3' ' A' ' 31' ' ' GLY . 2.5 mtm180 -68.27 -6.71 25.31 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.545 179.18 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -100.42 11.2 39.98 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.65 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 14.9 m-20 69.33 36.95 2.16 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 120.638 0.256 . . . . 0.0 111.173 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 25.2 p -120.26 129.61 54.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.23 179.141 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -76.71 123.23 25.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.767 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -121.91 120.63 35.03 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.379 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -82.18 136.31 35.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.459 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -107.86 157.04 18.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.765 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.558 ' O ' ' NH2' ' A' ' 26' ' ' ARG . 2.4 p30 -90.81 127.58 36.4 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.537 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.25 -14.86 59.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.283 0.563 . . . . 0.0 110.49 179.614 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 . . . . . 0 C--N 1.32 -0.716 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.021 -179.457 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt . . . . . 0 C--O 1.235 0.315 0 CA-C-O 120.743 0.306 . . . . 0.0 110.658 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.529 ' O ' HG23 ' A' ' 83' ' ' VAL . 1.6 tp10 -81.12 -31.7 34.13 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-O 120.671 0.272 . . . . 0.0 110.399 -179.722 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 78.9 t -57.83 -45.44 87.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.895 0.378 . . . . 0.0 110.0 -179.533 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 74.5 m80 -70.16 -40.28 74.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.949 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.02 -27.29 64.55 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 79' ' ' GLU . 72.2 t -87.88 134.99 26.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.985 -179.482 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 38.6 pttt -115.03 131.78 56.81 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.345 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 38.4 t -98.52 123.71 51.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.023 0.439 . . . . 0.0 110.329 -179.064 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.542 ' O ' ' CD1' ' A' ' 86' ' ' TYR . 0.2 OUTLIER -83.74 153.62 24.05 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.713 179.542 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.0 m -126.64 126.97 69.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.626 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 43.7 p90 . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 118.003 -0.999 . . . . 0.0 110.424 179.863 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.7 m . . . . . 0 N--CA 1.456 -0.143 0 CA-C-O 120.772 0.32 . . . . 0.0 110.408 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.447 HD13 ' HA ' ' A' ' 86' ' ' TYR . 40.5 mm -121.62 129.88 75.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.101 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.7 m -123.3 173.87 7.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.549 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.477 ' CZ ' ' O ' ' A' ' 81' ' ' HIS . 30.5 mmm-85 -113.45 128.78 56.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.536 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.415 ' CB ' HG13 ' A' ' 80' ' ' VAL . . . -59.29 151.81 22.43 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.674 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.508 ' C ' HG11 ' A' ' 80' ' ' VAL . 29.1 mmtp -99.45 -41.9 7.19 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.997 -179.32 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -146.35 148.34 32.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.335 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.757 ' N ' HG21 ' A' ' 80' ' ' VAL . 65.4 t90 -56.39 137.17 53.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.151 -179.228 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 60.1 p -167.36 164.72 15.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.511 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -45.35 -35.29 3.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.513 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.403 ' O ' HD23 ' A' ' 24' ' ' LEU . 52.8 tp10 -65.39 -48.18 73.76 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.576 179.385 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.489 HD13 ' N ' ' A' ' 21' ' ' ILE . 4.3 mm -67.7 -57.82 8.25 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.487 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 -178.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 21' ' ' ILE . 2.1 tm-20 -37.73 -46.3 0.88 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 123.579 0.549 . . . . 0.0 110.023 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.677 ' ND2' ' CE1' ' A' ' 27' ' ' PHE . 11.5 t-20 -62.95 -47.71 82.02 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.191 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 21' ' ' ILE . 3.1 mm? -54.74 -47.07 74.28 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.677 -178.688 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -58.98 -49.6 77.28 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.784 -0.367 . . . . 0.0 110.533 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.539 ' NH2' ' O ' ' A' ' 70' ' ' ASN . 91.3 mtt180 -59.24 -47.64 84.61 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.335 -0.546 . . . . 0.0 110.623 -179.304 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.677 ' CE1' ' ND2' ' A' ' 23' ' ' ASN . 7.0 m-85 -63.12 -48.09 79.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.949 0.404 . . . . 0.0 110.376 -179.624 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -55.88 -43.31 77.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.064 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 94.0 mm-40 -63.13 -39.63 95.25 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.613 178.757 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.78 -20.13 61.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.868 0.366 . . . . 0.0 110.461 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 107.46 2.22 35.22 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.385 -0.686 . . . . 0.0 111.385 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.554 ' CE1' HG21 ' A' ' 41' ' ' VAL . 9.1 m-85 -104.23 150.14 24.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.962 0.41 . . . . 0.0 109.993 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.93 -35.5 20.45 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.71 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.447 ' CG ' ' H ' ' A' ' 35' ' ' GLU . 37.4 t0 -174.22 -176.08 1.09 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.682 -179.796 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.447 ' H ' ' CG ' ' A' ' 34' ' ' ASP . 15.7 pt-20 -43.08 -42.04 3.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.859 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 46.3 mm -48.97 -63.61 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 C-N-CA 120.731 -0.388 . . . . 0.0 111.217 -178.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.534 ' O ' HG23 ' A' ' 41' ' ' VAL . 51.3 tp10 -63.79 -42.17 97.78 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.377 -179.173 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.486 ' CE2' HD11 ' A' ' 59' ' ' LEU . 1.5 t80 -58.8 -51.09 71.49 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 119.76 -0.776 . . . . 0.0 110.965 -177.833 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.602 ' O ' ' N ' ' A' ' 43' ' ' GLN . 97.7 mttt -61.57 -40.66 95.53 Favored 'General case' 0 C--O 1.22 -0.456 0 C-N-CA 120.679 -0.408 . . . . 0.0 111.276 -178.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -62.83 -41.7 99.43 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.368 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.554 HG21 ' CE1' ' A' ' 32' ' ' TYR . 72.8 t -60.6 -46.51 95.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 C-N-CA 120.747 -0.381 . . . . 0.0 111.452 -178.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -99.99 0.06 40.3 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.802 -179.712 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.602 ' N ' ' O ' ' A' ' 39' ' ' LYS . 73.8 mt-30 47.53 53.45 11.07 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.577 -179.702 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 16.8 m -117.81 -169.53 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.683 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -137.77 -34.87 0.66 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.99 -179.393 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 26.8 ptt? -110.84 148.41 32.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.486 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 48.0 t -113.15 135.85 51.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.333 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -72.61 117.99 14.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.22 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.507 ' HE ' ' N ' ' A' ' 56' ' ' VAL . 29.2 mtp180 -139.14 170.21 16.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.496 -179.638 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.435 ' O ' ' N ' ' A' ' 54' ' ' GLY . 65.3 m95 -97.11 141.85 23.65 Favored Pre-proline 0 C--O 1.221 -0.417 0 C-N-CA 120.125 -0.63 . . . . 0.0 111.068 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -65.48 -29.75 52.99 Favored 'Trans proline' 0 C--N 1.306 -1.691 0 C-N-CA 122.423 2.082 . . . . 0.0 112.785 -179.484 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 32.9 mp0 -51.99 -50.52 61.15 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.589 -178.633 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.442 ' OG1' ' CD2' ' A' ' 55' ' ' TYR . 45.0 p -126.47 -35.36 2.37 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.97 -0.292 . . . . 0.0 111.113 179.678 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.505 ' O ' ' CZ ' ' A' ' 49' ' ' ARG . . . 99.66 25.34 9.29 Favored Glycine 0 N--CA 1.463 0.456 0 C-N-CA 120.596 -0.811 . . . . 0.0 111.268 -179.671 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.442 ' CD2' ' OG1' ' A' ' 53' ' ' THR . 28.9 m-85 -86.51 154.8 20.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.727 0.299 . . . . 0.0 110.635 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.572 HG11 HD13 ' A' ' 59' ' ' LEU . 41.1 t -56.94 124.09 9.85 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.227 -178.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -75.18 -51.83 12.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.996 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 63.0 pttt -141.85 148.19 38.4 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.383 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.572 HD13 HG11 ' A' ' 56' ' ' VAL . 5.9 tp -147.63 134.92 20.6 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.564 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -85.47 136.13 33.56 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.429 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.429 ' HE ' ' HB2' ' A' ' 67' ' ' PHE . 22.3 mtt180 -78.55 168.35 19.91 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.215 -179.346 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.448 ' NH2' ' OE2' ' A' ' 37' ' ' GLU . 5.4 mmt180 -68.92 -7.11 31.85 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.178 179.634 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -98.27 5.65 48.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.712 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 73.79 37.42 0.67 Allowed 'General case' 0 N--CA 1.456 -0.165 0 CA-C-O 120.718 0.294 . . . . 0.0 111.137 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 33.0 p -121.44 129.81 53.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.244 179.162 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -74.47 124.13 26.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.432 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.429 ' HB2' ' HE ' ' A' ' 61' ' ' ARG . 41.3 t80 -122.06 117.98 27.63 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.293 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -82.0 134.58 35.37 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.442 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -106.17 153.63 21.84 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.633 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.539 ' O ' ' NH2' ' A' ' 26' ' ' ARG . 3.8 p30 -100.51 134.44 43.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.052 179.682 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.7 pttm -71.48 -31.01 66.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.126 0.488 . . . . 0.0 110.629 179.11 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 . . . . . 0 C--N 1.324 -0.51 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.27 179.882 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt . . . . . 0 C--O 1.236 0.393 0 CA-C-O 121.252 0.549 . . . . 0.0 110.64 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.684 ' O ' HG23 ' A' ' 83' ' ' VAL . 0.7 OUTLIER -80.45 -36.16 33.93 Favored 'General case' 0 C--O 1.216 -0.668 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.29 -179.734 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.757 HG21 ' N ' ' A' ' 17' ' ' TRP . 53.5 t -59.14 -41.65 84.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 C-N-CA 120.28 -0.568 . . . . 0.0 110.553 179.514 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.477 ' O ' ' CZ ' ' A' ' 13' ' ' ARG . 60.8 m80 -68.32 -42.59 79.14 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.186 -0.461 . . . . 0.0 112.04 -178.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.99 -20.16 39.03 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.606 -0.438 . . . . 0.0 111.066 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.684 HG23 ' O ' ' A' ' 79' ' ' GLU . 74.2 t -85.75 138.08 19.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.447 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -108.07 159.46 16.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.564 179.635 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 60.0 t -127.42 124.25 63.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.511 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.532 ' CD1' ' N ' ' A' ' 87' ' ' VAL . 0.0 OUTLIER -87.88 141.5 28.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 179.686 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.532 ' N ' ' CD1' ' A' ' 86' ' ' TYR . 12.6 m -128.6 134.4 64.66 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-O 121.621 0.724 . . . . 0.0 111.348 179.31 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 29.8 p90 . . . . . 0 C--N 1.323 -0.554 0 CA-C-O 117.893 -1.051 . . . . 0.0 110.146 179.601 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.447 ' O ' HG22 ' A' ' 87' ' ' VAL . 70.3 m . . . . . 0 C--O 1.23 0.034 0 CA-C-O 120.943 0.401 . . . . 0.0 110.68 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.4 mp -133.05 130.56 58.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.416 179.482 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.3 m -119.33 177.46 4.9 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.556 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 91.1 mtt180 -111.24 130.51 55.63 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.764 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.462 ' O ' HG12 ' A' ' 80' ' ' VAL . . . -66.86 148.12 52.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.509 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.641 ' C ' HG11 ' A' ' 80' ' ' VAL . 44.4 mmtm -95.78 -37.12 10.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.346 -179.691 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.9 ttpp -132.17 -177.46 4.46 Favored 'General case' 0 C--O 1.226 -0.144 0 CA-C-O 121.002 0.429 . . . . 0.0 111.022 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.412 ' HE1' ' HB2' ' A' ' 22' ' ' GLU . 61.4 t90 -96.64 134.56 39.73 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.984 -179.418 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.6 m -160.23 160.0 32.19 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.624 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -46.06 -28.48 1.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.081 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.549 ' O ' HD23 ' A' ' 24' ' ' LEU . 49.4 mp0 -68.68 -44.17 74.58 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.688 179.234 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.444 HD13 ' N ' ' A' ' 21' ' ' ILE . 5.5 mm -71.04 -58.81 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 C-N-CA 120.471 -0.492 . . . . 0.0 109.806 -179.324 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.424 ' CD ' ' N ' ' A' ' 23' ' ' ASN . 1.8 tm-20 -40.33 -45.41 2.13 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.985 -179.697 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.438 ' ND2' ' CE2' ' A' ' 27' ' ' PHE . 16.8 t-20 -60.45 -49.59 76.97 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.797 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.549 HD23 ' O ' ' A' ' 20' ' ' GLU . 3.5 mm? -54.59 -44.26 72.87 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.737 -178.816 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 73.1 t80 -59.73 -48.93 79.71 Favored 'General case' 0 C--N 1.319 -0.759 0 C-N-CA 120.794 -0.362 . . . . 0.0 111.248 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.459 ' NH2' ' O ' ' A' ' 70' ' ' ASN . 90.3 mtt180 -61.77 -48.59 79.96 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.569 -0.452 . . . . 0.0 111.418 -178.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.438 ' CE2' ' ND2' ' A' ' 23' ' ' ASN . 33.4 m-85 -65.35 -46.6 79.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.065 0.46 . . . . 0.0 110.552 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -54.27 -42.08 69.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.971 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -62.1 -36.84 82.94 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.409 178.549 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.36 -16.92 63.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.994 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 103.54 12.6 30.28 Favored Glycine 0 CA--C 1.527 0.804 0 N-CA-C 111.273 -0.731 . . . . 0.0 111.273 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.658 ' CE1' HG21 ' A' ' 41' ' ' VAL . 31.8 m-85 -114.31 146.51 40.4 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 121.182 0.515 . . . . 0.0 110.962 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.477 ' CD ' ' H ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -76.48 -36.17 57.99 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.186 179.664 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 52.3 p-10 -161.01 170.6 20.22 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.352 179.566 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -51.0 -30.08 14.2 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.531 -179.123 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 48.8 mm -57.91 -48.44 83.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.617 -178.774 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 44.8 tp10 -64.66 -40.59 95.69 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.969 0.414 . . . . 0.0 110.191 -179.655 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.446 ' CD1' HD11 ' A' ' 59' ' ' LEU . 32.2 t80 -60.75 -46.59 89.88 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.527 179.588 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.583 ' O ' ' N ' ' A' ' 43' ' ' GLN . 59.6 mttp -59.9 -40.69 89.61 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.043 -178.694 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -62.33 -41.5 98.61 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.975 0.417 . . . . 0.0 110.587 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.658 HG21 ' CE1' ' A' ' 32' ' ' TYR . 76.9 t -61.73 -44.28 98.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.025 -179.492 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.436 ' O ' HG13 ' A' ' 44' ' ' VAL . 27.4 mmtp -100.24 5.5 44.65 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.795 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.583 ' N ' ' O ' ' A' ' 39' ' ' LYS . 77.9 mt-30 37.93 59.74 1.3 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.636 179.583 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.436 HG13 ' O ' ' A' ' 42' ' ' LYS . 27.0 m -113.11 -166.28 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.452 -179.681 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -126.99 -28.7 2.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.805 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -151.03 163.64 38.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.49 -179.634 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.407 ' HB ' HH12 ' A' ' 49' ' ' ARG . 5.9 t -122.3 142.96 36.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 120.954 0.407 . . . . 0.0 110.244 -179.608 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -66.47 145.7 55.37 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.044 0.449 . . . . 0.0 110.686 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.407 HH12 ' HB ' ' A' ' 47' ' ' VAL . 65.1 mtt85 -140.36 153.65 46.46 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.318 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.618 ' CZ2' ' NZ ' ' A' ' 57' ' ' LYS . 75.7 m95 -78.28 145.6 68.89 Favored Pre-proline 0 C--O 1.222 -0.36 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -179.677 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.496 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 38.3 Cg_endo -68.99 164.05 35.28 Favored 'Trans proline' 0 C--N 1.306 -1.663 0 C-N-CA 122.074 1.849 . . . . 0.0 110.178 175.816 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.496 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 9.1 tp10 82.68 -48.11 0.17 Allowed 'General case' 0 CA--C 1.512 -0.506 0 O-C-N 123.041 0.213 . . . . 0.0 110.845 179.597 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.518 ' HB ' ' CE2' ' A' ' 55' ' ' TYR . 69.9 p -118.86 -37.86 3.18 Favored 'General case' 0 CA--C 1.519 -0.226 0 C-N-CA 119.771 -0.771 . . . . 0.0 111.63 -178.714 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 50' ' ' TRP . . . 85.07 20.51 57.38 Favored Glycine 0 CA--C 1.525 0.687 0 C-N-CA 120.546 -0.835 . . . . 0.0 111.126 -179.68 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.518 ' CE2' ' HB ' ' A' ' 53' ' ' THR . 24.6 m-85 -71.1 163.1 28.28 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.866 -0.333 . . . . 0.0 110.666 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 96.1 t -58.68 128.29 19.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.821 -178.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.618 ' NZ ' ' CZ2' ' A' ' 50' ' ' TRP . 8.3 tptp -73.0 -50.77 21.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.817 -179.659 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -155.81 153.93 30.57 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.48 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.558 HD13 ' N ' ' A' ' 60' ' ' GLN . 0.1 OUTLIER -145.03 131.17 19.4 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.503 -0.479 . . . . 0.0 110.88 179.647 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.558 ' N ' HD13 ' A' ' 59' ' ' LEU . 10.6 tt0 -80.02 130.24 35.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.138 0.494 . . . . 0.0 110.82 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.2 mtm180 -75.73 168.02 20.8 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.639 -178.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 15.9 mtt-85 -65.64 -11.43 44.65 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.114 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -94.47 12.49 27.07 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.637 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 56.4 m-20 65.53 37.07 6.22 Favored 'General case' 0 C--N 1.333 -0.134 0 O-C-N 123.326 0.391 . . . . 0.0 111.279 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 29.4 p -118.66 129.33 55.24 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.466 179.12 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -76.08 120.1 20.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.577 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -115.28 115.47 26.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.125 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -82.51 141.96 32.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.342 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 66.9 m-85 -114.39 148.55 37.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.723 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.838 HD22 ' HB2' ' A' ' 72' ' ' GLU . 1.0 OUTLIER -91.46 145.78 24.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.904 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.446 ' HB3' ' CG ' ' A' ' 50' ' ' TRP . 7.8 pttt -81.71 -21.25 38.11 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.673 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.838 ' HB2' HD22 ' A' ' 70' ' ' ASN . 1.0 OUTLIER . . . . . 0 CA--C 1.499 -0.99 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.837 -178.658 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 41.9 mtpt . . . . . 0 C--O 1.236 0.376 0 CA-C-O 121.129 0.49 . . . . 0.0 110.456 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.664 ' O ' HG23 ' A' ' 83' ' ' VAL . 5.2 mt-10 -83.15 -28.19 29.55 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.785 179.481 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.641 HG11 ' C ' ' A' ' 15' ' ' LYS . 56.1 t -57.73 -48.32 83.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 179.517 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 32.4 m170 -68.63 -40.65 80.24 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.701 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.6 mmmt -72.3 -26.65 62.04 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.934 0.397 . . . . 0.0 110.888 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 79' ' ' GLU . 69.8 t -87.08 142.09 13.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.809 -179.773 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -113.84 158.12 21.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.49 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 61.7 t -127.11 126.95 69.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.67 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.534 ' O ' ' CD1' ' A' ' 86' ' ' TYR . 0.5 OUTLIER -81.33 144.66 31.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.42 179.731 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.447 HG22 ' O ' ' A' ' 10' ' ' SER . 6.3 m -126.19 138.02 55.91 Favored 'Isoleucine or valine' 0 C--O 1.231 0.132 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.582 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 35.3 p90 . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 118.041 -0.981 . . . . 0.0 110.521 -179.869 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 64.4 m . . . . . 0 N--CA 1.455 -0.18 0 CA-C-O 120.868 0.366 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.7 mp -129.81 134.42 63.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.572 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 39.0 t -126.22 176.57 6.98 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.55 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -113.81 130.64 56.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.527 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.568 ' HB3' HG13 ' A' ' 80' ' ' VAL . . . -65.45 154.21 39.14 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.061 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.73 -37.9 17.46 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.911 -179.729 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.711 ' CD ' ' H ' ' A' ' 17' ' ' TRP . 22.3 tptm -167.27 173.39 8.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.161 0.505 . . . . 0.0 111.122 179.573 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.711 ' H ' ' CD ' ' A' ' 16' ' ' LYS . 18.3 t90 -53.35 133.94 40.01 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.208 -0.906 . . . . 0.0 110.142 -178.71 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -163.23 162.99 25.61 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.123 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -56.81 -39.74 74.73 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.082 -178.671 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -66.77 -46.35 75.58 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.422 -0.511 . . . . 0.0 110.925 179.115 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.511 HD13 ' N ' ' A' ' 21' ' ' ILE . 4.4 mm -70.2 -57.71 7.35 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.346 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 -178.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.557 ' OE2' ' NE ' ' A' ' 26' ' ' ARG . 6.3 tm-20 -39.8 -49.91 2.37 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.995 0.426 . . . . 0.0 110.373 179.584 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -60.67 -47.37 86.56 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.531 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.795 ' CD1' HG13 ' A' ' 85' ' ' VAL . 71.8 mt -58.39 -40.1 81.46 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.14 -179.065 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 23.7 t80 -59.59 -49.64 76.98 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.389 178.606 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.557 ' NE ' ' OE2' ' A' ' 22' ' ' GLU . 92.8 mtt180 -61.24 -46.19 91.42 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.431 -179.144 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -62.71 -49.33 75.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.871 0.367 . . . . 0.0 110.831 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.514 ' NE2' ' O ' ' A' ' 84' ' ' LYS . 69.2 mt-30 -57.39 -41.66 80.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.147 -178.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 89.6 mm-40 -62.7 -40.25 96.56 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.448 178.662 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 62' ' ' ARG . . . -72.68 -20.52 61.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.81 0.338 . . . . 0.0 110.601 179.521 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 107.27 1.91 35.61 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.481 ' CE2' ' O ' ' A' ' 60' ' ' GLN . 16.5 m-85 -100.19 150.23 22.73 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.07 0.462 . . . . 0.0 110.155 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.28 -35.47 18.45 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.383 -179.466 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.429 ' OD1' ' OH ' ' A' ' 86' ' ' TYR . 2.3 p-10 -170.98 -178.71 2.56 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.684 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -48.85 -35.76 15.37 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.175 -178.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 77.8 mt -55.33 -49.04 75.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.948 -178.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -67.61 -41.73 83.53 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.876 -0.33 . . . . 0.0 110.992 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -59.5 -46.92 87.43 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.03 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.532 ' O ' ' N ' ' A' ' 43' ' ' GLN . 97.8 mttt -60.33 -41.78 94.27 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 120.643 -0.423 . . . . 0.0 111.382 -179.496 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -63.69 -42.75 97.97 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.957 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.48 HG21 ' CE1' ' A' ' 32' ' ' TYR . 72.5 t -61.74 -45.83 97.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.859 0.362 . . . . 0.0 111.283 -179.393 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.498 ' O ' HG13 ' A' ' 44' ' ' VAL . 68.7 mmtt -94.65 -0.33 54.49 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.609 -179.632 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.532 ' N ' ' O ' ' A' ' 39' ' ' LYS . 74.1 mm-40 50.52 51.49 16.76 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.526 -0.469 . . . . 0.0 110.838 179.604 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.498 HG13 ' O ' ' A' ' 42' ' ' LYS . 34.7 m -128.55 -177.1 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.312 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -135.62 20.39 3.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 -179.537 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.7 mtm -158.28 142.75 16.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.494 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.1 t -115.01 134.36 58.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -68.88 135.49 51.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.745 0.307 . . . . 0.0 110.658 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.692 HH12 HG22 ' A' ' 56' ' ' VAL . 85.6 mtt-85 -145.37 169.13 18.9 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.731 -0.387 . . . . 0.0 110.232 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.507 ' O ' ' N ' ' A' ' 54' ' ' GLY . 68.0 m95 -95.89 139.47 21.85 Favored Pre-proline 0 C--O 1.221 -0.422 0 C-N-CA 120.194 -0.603 . . . . 0.0 111.068 179.71 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -64.95 -31.48 56.17 Favored 'Trans proline' 0 N--CA 1.497 1.717 0 C-N-CA 121.925 1.75 . . . . 0.0 113.084 -179.608 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -58.51 -51.04 71.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.034 -177.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 66.8 p -118.26 -30.67 5.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.614 -178.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 50' ' ' TRP . . . 87.64 20.5 50.94 Favored Glycine 0 C--O 1.224 -0.5 0 C-N-CA 119.921 -1.133 . . . . 0.0 111.097 -179.081 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.5 ' OH ' ' CH2' ' A' ' 17' ' ' TRP . 29.4 m-85 -82.47 164.01 21.21 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.159 -0.616 . . . . 0.0 110.774 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.692 HG22 HH12 ' A' ' 49' ' ' ARG . 64.8 t -58.85 125.6 15.13 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.464 -179.255 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.3 tptm -76.17 -53.55 8.12 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.719 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -143.56 145.47 32.56 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.391 -179.028 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.468 HD13 HG11 ' A' ' 56' ' ' VAL . 4.6 tp -146.17 128.41 15.75 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.083 179.732 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.481 ' O ' ' CE2' ' A' ' 32' ' ' TYR . 32.7 tt0 -81.46 135.16 35.62 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.907 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.5 mtm180 -77.09 164.81 25.35 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.785 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.495 ' N ' ' O ' ' A' ' 30' ' ' ALA . 14.0 mtt180 -64.25 -6.48 6.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.995 179.508 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -98.68 8.3 45.1 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.119 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 75.99 -4.12 2.43 Favored 'General case' 0 CA--C 1.522 -0.134 0 CA-C-O 120.846 0.355 . . . . 0.0 110.638 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 24.1 p -78.21 129.59 35.29 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.01 179.328 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -74.86 127.33 32.94 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.138 -179.535 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -122.64 112.27 17.77 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.164 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -83.35 136.71 34.25 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.197 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -105.63 151.89 23.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.542 179.612 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -103.23 124.21 48.2 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.374 179.334 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.8 pttm -49.04 -37.35 20.58 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.186 -0.605 . . . . 0.0 110.308 179.217 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 . . . . . 0 C--N 1.329 -0.325 0 C-N-CA 120.626 -0.429 . . . . 0.0 109.94 178.809 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt . . . . . 0 N--CA 1.455 -0.215 0 CA-C-O 120.88 0.372 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.775 ' O ' HG23 ' A' ' 83' ' ' VAL . 98.4 mt-10 -81.38 -33.24 32.45 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.521 -0.472 . . . . 0.0 110.617 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.614 HG21 ' N ' ' A' ' 17' ' ' TRP . 50.2 t -58.5 -47.9 86.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 C-N-CA 120.283 -0.567 . . . . 0.0 109.789 179.607 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 48.2 t-80 -60.83 -44.87 96.36 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.502 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 36.7 mtmt -72.89 -26.96 61.62 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.956 179.247 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.775 HG23 ' O ' ' A' ' 79' ' ' GLU . 54.0 t -76.69 134.64 28.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.286 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.514 ' O ' ' NE2' ' A' ' 28' ' ' GLN . 53.9 pttt -104.41 141.65 35.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.084 179.354 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.795 HG13 ' CD1' ' A' ' 24' ' ' LEU . 19.0 t -106.39 119.07 55.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 -179.42 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.539 ' O ' ' CD1' ' A' ' 86' ' ' TYR . 0.7 OUTLIER -89.35 140.85 29.09 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.707 -179.554 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 5.8 m -127.88 131.7 69.46 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.132 0 CA-C-O 121.17 0.51 . . . . 0.0 110.667 179.577 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 14.7 p90 . . . . . 0 C--O 1.219 -0.541 0 CA-C-O 118.047 -0.978 . . . . 0.0 110.62 179.978 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 121.16 0.505 . . . . 0.0 111.016 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.8 mp -135.27 130.93 51.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.692 179.656 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.3 m -122.44 177.13 5.53 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.446 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.28 134.29 55.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.056 -179.596 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -48.35 154.54 0.6 Allowed 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.023 -179.426 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.14 -44.87 4.66 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 120.644 -0.422 . . . . 0.0 111.385 -179.352 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.6 tptt -141.78 -177.28 5.12 Favored 'General case' 0 C--O 1.22 -0.468 0 C-N-CA 120.436 -0.505 . . . . 0.0 110.541 -179.381 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.426 ' HE1' ' HB2' ' A' ' 22' ' ' GLU . 15.7 t90 -90.59 119.62 31.0 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 120.336 -0.545 . . . . 0.0 111.47 -178.787 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 42.3 t -157.94 156.86 32.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.829 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -45.93 -27.51 0.91 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.099 -179.672 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -66.59 -50.08 64.22 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.201 0.524 . . . . 0.0 110.134 179.348 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.408 ' O ' ' C ' ' A' ' 22' ' ' GLU . 19.4 mm -71.51 -58.5 5.03 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.499 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.074 -179.578 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.426 ' HB2' ' HE1' ' A' ' 17' ' ' TRP . 6.3 tp10 -43.17 -48.47 6.44 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.381 -0.528 . . . . 0.0 109.621 -178.642 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.402 ' ND2' ' C ' ' A' ' 23' ' ' ASN . 1.1 t30 -61.23 -48.3 82.12 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.771 179.337 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.704 HD13 HG13 ' A' ' 85' ' ' VAL . 31.6 mt -57.06 -36.01 70.02 Favored 'General case' 0 C--O 1.221 -0.426 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 -178.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -59.52 -47.49 85.31 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.579 -0.448 . . . . 0.0 109.898 178.224 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.511 ' NH2' ' O ' ' A' ' 70' ' ' ASN . 86.2 mtt180 -61.09 -49.83 75.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.471 -179.716 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.454 ' CE2' HG21 ' A' ' 56' ' ' VAL . 22.0 m-85 -63.29 -48.48 77.96 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 120.893 0.378 . . . . 0.0 110.672 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.589 ' NE2' ' O ' ' A' ' 84' ' ' LYS . 73.3 mt-30 -57.37 -41.24 79.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.319 -179.678 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 50.7 mm-40 -58.75 -39.53 81.24 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.568 -0.453 . . . . 0.0 109.992 178.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.88 -14.95 62.58 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.073 179.318 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 103.52 1.53 46.91 Favored Glycine 0 CA--C 1.528 0.892 0 N-CA-C 111.402 -0.679 . . . . 0.0 111.402 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.49 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 12.5 m-85 -99.02 145.88 26.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.962 0.41 . . . . 0.0 110.204 -179.145 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.682 ' HE ' ' N ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -79.47 -37.97 35.6 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.496 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -161.75 170.88 18.81 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.657 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -50.39 -25.78 4.26 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.153 -179.25 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 95.3 mt -59.87 -48.85 86.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.914 -179.48 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -64.54 -40.71 96.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.91 0.385 . . . . 0.0 110.471 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.506 ' CD1' HD11 ' A' ' 59' ' ' LEU . 55.1 t80 -60.13 -46.92 88.0 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.427 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.559 ' O ' ' N ' ' A' ' 43' ' ' GLN . 97.8 mttt -61.48 -39.0 89.32 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.554 -0.293 . . . . 0.0 111.471 -179.47 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -61.38 -46.03 91.86 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.86 0.362 . . . . 0.0 110.804 -179.645 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.0 t -62.37 -41.21 90.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.041 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.519 ' O ' HG13 ' A' ' 44' ' ' VAL . 72.2 mmtt -91.72 -7.0 50.98 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.606 -179.579 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.559 ' N ' ' O ' ' A' ' 39' ' ' LYS . 77.1 mm-40 51.74 50.23 19.14 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.631 -0.428 . . . . 0.0 111.041 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.519 HG13 ' O ' ' A' ' 42' ' ' LYS . 30.3 m -129.5 -173.49 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.364 179.754 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -138.85 32.38 2.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.859 -179.568 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 16.4 ptm -162.19 149.92 14.3 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.762 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 10.8 t -128.97 136.66 59.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -64.43 128.93 37.91 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.867 0.365 . . . . 0.0 110.55 -179.661 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -143.68 166.54 24.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.645 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 81.1 m95 -99.9 142.34 24.43 Favored Pre-proline 0 CA--C 1.534 0.359 0 C-N-CA 120.279 -0.568 . . . . 0.0 110.874 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -65.82 -36.34 32.07 Favored 'Trans proline' 0 N--CA 1.497 1.697 0 C-N-CA 122.274 1.983 . . . . 0.0 112.897 -179.23 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -41.34 -48.3 3.65 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.606 -178.796 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.5 ' OG1' ' CD2' ' A' ' 55' ' ' TYR . 13.0 p -135.31 -36.64 0.8 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.4 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 102.15 34.74 4.15 Favored Glycine 0 CA--C 1.524 0.613 0 C-N-CA 120.885 -0.674 . . . . 0.0 111.88 -179.469 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.5 ' CD2' ' OG1' ' A' ' 53' ' ' THR . 54.7 m-85 -91.72 165.63 13.19 Favored 'General case' 0 C--O 1.237 0.426 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 178.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.454 HG21 ' CE2' ' A' ' 27' ' ' PHE . 59.6 t -63.07 119.78 7.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.07 -178.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 75.5 tttt -74.03 -49.64 23.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.121 179.13 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 61.0 pttt -150.07 154.08 37.52 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.608 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.616 HD13 ' H ' ' A' ' 60' ' ' GLN . 0.1 OUTLIER -151.26 135.21 16.57 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-O 121.154 0.502 . . . . 0.0 110.622 -179.795 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.616 ' H ' HD13 ' A' ' 59' ' ' LEU . 40.9 tt0 -77.67 136.3 38.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.718 -0.673 . . . . 0.0 109.545 179.597 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 54.1 mtm180 -81.36 172.36 13.66 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.13 0.49 . . . . 0.0 111.184 -179.202 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 9.5 mmt-85 -70.25 -11.1 60.67 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.113 -0.948 . . . . 0.0 110.128 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.428 ' O ' ' CB ' ' A' ' 64' ' ' ASN . 96.7 m-20 -96.81 4.67 51.6 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.95 -179.755 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.428 ' CB ' ' O ' ' A' ' 63' ' ' ASP . 2.2 m-20 80.63 0.65 1.87 Allowed 'General case' 0 C--N 1.341 0.234 0 CA-C-O 120.776 0.322 . . . . 0.0 110.668 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 11.6 p -86.66 132.51 33.86 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.176 179.477 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -80.19 133.01 35.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.525 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -128.83 119.64 24.85 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.826 0.346 . . . . 0.0 110.17 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -82.41 136.26 34.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.605 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -106.43 163.81 12.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.825 179.738 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.591 ' ND2' ' O ' ' A' ' 70' ' ' ASN . 0.0 OUTLIER -96.83 133.12 41.84 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.825 -179.804 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 22.7 pttt -71.75 -21.41 61.75 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.408 0.623 . . . . 0.0 110.542 179.253 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.323 -0.549 0 C-N-CA 120.373 -0.531 . . . . 0.0 109.924 -179.193 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.238 0.499 0 CA-C-O 121.129 0.49 . . . . 0.0 110.397 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.72 ' O ' HG23 ' A' ' 83' ' ' VAL . 1.5 tp10 -81.14 -38.02 27.86 Favored 'General case' 0 C--O 1.222 -0.374 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 66.5 t -58.01 -39.3 71.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 C-N-CA 120.347 -0.541 . . . . 0.0 110.472 179.473 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 64.2 m170 -70.99 -43.01 68.89 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -178.646 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.77 -20.95 34.88 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 120.726 -0.39 . . . . 0.0 111.18 -179.033 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.72 HG23 ' O ' ' A' ' 79' ' ' GLU . 44.1 t -74.47 130.8 35.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.37 0.605 . . . . 0.0 111.465 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.589 ' O ' ' NE2' ' A' ' 28' ' ' GLN . 21.3 pttm -114.87 128.5 56.33 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.032 179.307 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.704 HG13 HD13 ' A' ' 24' ' ' LEU . 20.6 t -108.31 130.83 60.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.929 0.395 . . . . 0.0 110.958 -178.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.439 ' O ' ' CD1' ' A' ' 86' ' ' TYR . 0.3 OUTLIER -83.34 157.99 22.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.009 -179.831 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.419 ' O ' HG13 ' A' ' 87' ' ' VAL . 4.0 p -127.04 131.23 71.07 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 CA-C-O 121.072 0.463 . . . . 0.0 110.173 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 9.3 p90 . . . . . 0 C--O 1.219 -0.514 0 CA-C-O 117.87 -1.062 . . . . 0.0 110.364 -179.842 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 45.3 m . . . . . 0 N--CA 1.456 -0.142 0 CA-C-O 120.944 0.402 . . . . 0.0 110.687 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.5 mp -133.54 134.81 56.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.643 179.417 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 41.2 t -122.74 176.22 6.08 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.397 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? -113.21 129.74 56.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.507 -179.709 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.463 ' HB2' HD12 ' A' ' 21' ' ' ILE . . . -65.45 150.63 48.03 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.811 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -115.36 13.6 16.61 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 179.733 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.711 ' CD ' ' H ' ' A' ' 17' ' ' TRP . 55.6 tptt -172.43 172.71 4.31 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.039 177.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.711 ' H ' ' CD ' ' A' ' 16' ' ' LYS . 59.5 t90 -97.33 123.88 41.28 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.41 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.41 ' O ' ' N ' ' A' ' 21' ' ' ILE . 93.7 p -152.68 155.46 37.31 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.067 179.099 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -44.96 -25.32 0.3 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.225 -179.243 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -69.64 -42.38 74.36 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 179.083 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.463 HD12 ' HB2' ' A' ' 14' ' ' ALA . 19.0 mm -73.03 -58.84 4.13 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.468 0 C-N-CA 120.678 -0.409 . . . . 0.0 110.01 -179.342 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.417 ' HB2' ' HE1' ' A' ' 17' ' ' TRP . 35.0 tp10 -47.23 -48.3 24.34 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.219 -0.592 . . . . 0.0 110.539 -178.268 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -56.67 -47.71 79.23 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.6 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.621 ' CD1' HG13 ' A' ' 85' ' ' VAL . 73.5 mt -59.92 -40.16 87.9 Favored 'General case' 0 CA--C 1.511 -0.548 0 C-N-CA 120.309 -0.557 . . . . 0.0 110.152 -179.749 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -60.76 -49.0 79.25 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.171 -0.611 . . . . 0.0 110.169 178.616 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -61.43 -45.72 93.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.231 -179.496 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -63.69 -49.13 74.34 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.98 0.419 . . . . 0.0 110.484 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -58.62 -39.79 81.49 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.1 -179.668 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -60.55 -42.77 97.26 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.645 -0.422 . . . . 0.0 109.909 178.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.527 ' HB1' ' HA ' ' A' ' 61' ' ' ARG . . . -73.2 -16.24 61.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.351 179.44 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 100.47 3.31 55.38 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 111.515 -0.634 . . . . 0.0 111.515 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.533 ' CE2' ' O ' ' A' ' 60' ' ' GLN . 11.2 m-30 -94.02 146.42 23.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.459 0.647 . . . . 0.0 110.109 -179.609 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.635 ' N ' ' NE ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -79.91 -42.07 24.84 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.437 -178.642 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.508 ' CG ' ' H ' ' A' ' 35' ' ' GLU . 18.7 t70 -170.45 179.8 3.24 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.698 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.508 ' H ' ' CG ' ' A' ' 34' ' ' ASP . 99.1 mt-10 -46.3 -27.83 1.14 Allowed 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.502 -179.259 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 90.2 mt -58.63 -48.65 85.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.992 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.55 ' O ' HG23 ' A' ' 41' ' ' VAL . 50.2 tp10 -67.56 -42.84 81.95 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.323 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -59.08 -46.84 87.26 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.415 -0.514 . . . . 0.0 111.122 -178.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.571 ' HZ1' HG23 ' A' ' 47' ' ' VAL . 60.8 mttp -61.38 -39.63 91.36 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.859 0.362 . . . . 0.0 110.853 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -62.55 -42.58 99.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.601 179.752 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 37' ' ' GLU . 67.1 t -64.08 -43.68 97.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 120.81 0.338 . . . . 0.0 110.628 -179.328 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.467 ' N ' ' CD ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -91.11 -4.34 56.31 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.539 -179.58 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.53 ' N ' ' O ' ' A' ' 39' ' ' LYS . 14.5 mm100 52.41 48.12 23.28 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.613 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 23.5 m -123.5 -172.23 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.417 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -133.91 20.56 3.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.817 -179.391 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.437 ' SD ' ' C ' ' A' ' 46' ' ' MET . 4.1 ppp? -158.62 152.79 23.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.726 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.571 HG23 ' HZ1' ' A' ' 39' ' ' LYS . 19.4 t -111.07 136.9 45.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.204 -179.685 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -75.52 124.03 26.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.502 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.547 ' NE ' ' O ' ' A' ' 54' ' ' GLY . 29.4 mtp180 -143.56 169.92 16.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.733 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.429 ' O ' ' N ' ' A' ' 54' ' ' GLY . 89.0 m95 -96.32 143.21 25.72 Favored Pre-proline 0 C--O 1.219 -0.506 0 C-N-CA 120.363 -0.535 . . . . 0.0 111.23 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -66.41 -27.76 46.9 Favored 'Trans proline' 0 N--CA 1.497 1.697 0 C-N-CA 122.09 1.86 . . . . 0.0 112.579 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -53.63 -53.59 49.73 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.936 -178.762 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.52 ' OG1' ' CD2' ' A' ' 55' ' ' TYR . 76.3 p -124.96 -27.6 3.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.287 -179.717 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.547 ' O ' ' NE ' ' A' ' 49' ' ' ARG . . . 93.87 19.21 34.8 Favored Glycine 0 CA--C 1.521 0.442 0 C-N-CA 120.174 -1.013 . . . . 0.0 111.317 -179.41 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.52 ' CD2' ' OG1' ' A' ' 53' ' ' THR . 27.4 m-85 -82.56 153.59 25.44 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.503 -0.479 . . . . 0.0 110.942 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.933 HG11 HD13 ' A' ' 59' ' ' LEU . 32.7 t -57.26 125.62 13.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.984 -178.677 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.421 ' CD ' ' CZ2' ' A' ' 50' ' ' TRP . 25.8 ttpp -75.32 -48.62 22.26 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.074 179.707 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -144.81 146.72 32.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.197 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.933 HD13 HG11 ' A' ' 56' ' ' VAL . 4.6 tp -144.66 133.13 21.97 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.183 179.722 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.533 ' O ' ' CE2' ' A' ' 32' ' ' TYR . 21.9 tt0 -84.76 132.66 34.41 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.124 0.487 . . . . 0.0 111.146 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.527 ' HA ' ' HB1' ' A' ' 30' ' ' ALA . 14.3 mtm180 -76.92 170.44 16.49 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.791 -179.468 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 17.9 ttt180 -67.87 -7.65 29.86 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.943 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -99.25 8.75 44.49 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.179 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 76.6 -4.77 2.3 Favored 'General case' 0 CA--C 1.521 -0.151 0 CA-C-O 120.907 0.384 . . . . 0.0 110.586 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 19.0 p -78.52 128.92 34.23 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.414 179.549 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -75.09 126.93 32.05 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.301 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -119.44 115.58 24.37 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.219 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 -82.52 137.48 34.59 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.431 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -108.86 152.87 24.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.751 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -97.49 134.75 40.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.866 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.9 pttp -76.22 -28.65 57.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.163 0.506 . . . . 0.0 110.27 179.452 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 . . . . . 0 C--N 1.321 -0.668 0 C-N-CA 120.192 -0.603 . . . . 0.0 110.242 179.316 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt . . . . . 0 C--O 1.234 0.252 0 CA-C-O 121.002 0.43 . . . . 0.0 110.755 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.499 ' O ' HG23 ' A' ' 83' ' ' VAL . 76.7 mm-40 -81.1 -32.31 33.92 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.52 179.769 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.557 HG11 ' N ' ' A' ' 16' ' ' LYS . 53.6 t -56.84 -45.09 83.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 -179.66 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -69.67 -40.85 76.18 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.149 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.77 -28.8 64.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.787 0.327 . . . . 0.0 110.97 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 79' ' ' GLU . 90.1 t -89.02 137.22 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 26.3 mttm -110.32 161.33 15.73 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.28 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.621 HG13 ' CD1' ' A' ' 24' ' ' LEU . 2.6 t -118.48 125.17 74.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-O 120.845 0.355 . . . . 0.0 110.173 -179.727 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.599 ' O ' ' CD1' ' A' ' 86' ' ' TYR . 0.2 OUTLIER -90.03 144.02 26.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.818 -179.524 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.2 m -130.14 121.03 50.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.147 0.499 . . . . 0.0 110.8 179.608 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 44.0 p90 . . . . . 0 C--O 1.219 -0.525 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.338 179.871 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 49.6 m . . . . . 0 CA--C 1.527 0.084 0 CA-C-O 121.062 0.458 . . . . 0.0 110.679 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.1 mp -130.87 128.69 63.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.333 179.455 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.7 m -123.34 178.42 5.15 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.364 -179.624 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.48 135.47 53.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.838 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.569 ' HB2' HD12 ' A' ' 21' ' ' ILE . . . -66.28 152.87 44.02 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.728 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.2 ttpm? -95.19 -40.64 9.48 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 120.784 0.326 . . . . 0.0 111.0 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -147.29 150.36 34.64 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.616 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.464 ' N ' HG21 ' A' ' 80' ' ' VAL . 53.4 t90 -53.28 135.69 38.13 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.53 -179.629 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 m -163.33 161.49 24.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.538 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -46.7 -35.36 5.98 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.403 -179.612 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -66.65 -43.76 83.74 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.354 179.299 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.569 HD12 ' HB2' ' A' ' 14' ' ' ALA . 4.6 mm -71.02 -59.18 3.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 -179.411 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.411 ' CD ' ' N ' ' A' ' 23' ' ' ASN . 3.5 tm-20 -40.33 -51.49 2.77 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 123.418 0.449 . . . . 0.0 110.609 -179.056 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.411 ' N ' ' CD ' ' A' ' 22' ' ' GLU . 13.0 t-20 -60.22 -49.25 78.36 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.335 -179.581 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.813 ' CD1' HG13 ' A' ' 85' ' ' VAL . 76.9 mt -58.2 -41.45 84.03 Favored 'General case' 0 CA--C 1.512 -0.493 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.295 -179.336 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -58.83 -49.61 77.07 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.222 178.772 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.535 ' NH1' ' O ' ' A' ' 56' ' ' VAL . 94.6 mtt180 -61.3 -46.11 91.66 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-O 121.421 0.629 . . . . 0.0 109.869 -179.688 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.428 ' CE2' ' C ' ' A' ' 34' ' ' ASP . 7.8 m-85 -63.35 -50.26 70.65 Favored 'General case' 0 C--N 1.321 -0.655 0 O-C-N 121.63 -0.669 . . . . 0.0 110.883 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -57.67 -47.28 82.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.829 -179.44 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.479 ' HG3' ' O ' ' A' ' 26' ' ' ARG . 1.9 pp0? -62.48 -23.61 67.02 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.112 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.36 -16.87 31.85 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.988 -179.697 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 101.46 0.92 53.47 Favored Glycine 0 CA--C 1.528 0.897 0 N-CA-C 111.445 -0.662 . . . . 0.0 111.445 -179.426 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.525 ' CE1' ' O ' ' A' ' 60' ' ' GLN . 2.8 m-85 -97.56 148.54 23.16 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 -178.762 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.542 ' NH1' HH12 ' A' ' 62' ' ' ARG . 0.0 OUTLIER -83.13 -40.56 19.61 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.737 -179.8 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.576 ' OD2' HD12 ' A' ' 36' ' ' ILE . 10.1 p-10 -169.97 179.31 3.64 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.384 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.487 ' HB3' ' HZ3' ' A' ' 39' ' ' LYS . 96.0 mt-10 -45.75 -31.35 1.97 Allowed 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.785 -179.081 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.576 HD12 ' OD2' ' A' ' 34' ' ' ASP . 86.7 mt -56.54 -48.13 80.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 C-N-CA 120.672 -0.411 . . . . 0.0 111.315 -179.176 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -68.35 -41.4 80.74 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.884 -0.327 . . . . 0.0 111.145 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.591 ' CD2' HD21 ' A' ' 59' ' ' LEU . 1.9 t80 -57.27 -50.14 73.86 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 119.979 -0.688 . . . . 0.0 111.003 -178.132 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.556 ' O ' ' N ' ' A' ' 43' ' ' GLN . 63.4 mttp -62.94 -40.89 99.04 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.527 -179.084 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -61.34 -45.32 94.89 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.394 -179.229 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.437 HG21 ' CE2' ' A' ' 32' ' ' TYR . 49.0 t -59.56 -44.0 92.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.577 -179.439 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.431 ' O ' HG13 ' A' ' 44' ' ' VAL . 19.5 mmtp -97.66 1.08 48.26 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.127 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.556 ' N ' ' O ' ' A' ' 39' ' ' LYS . 90.7 mt-30 47.57 50.55 14.9 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.959 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.431 HG13 ' O ' ' A' ' 42' ' ' LYS . 18.7 m -119.2 -170.32 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.366 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -146.51 31.27 0.99 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.714 -179.532 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 21.9 ptt? -162.05 145.04 11.75 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.692 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.509 HG13 ' HE2' ' A' ' 38' ' ' TYR . 39.5 t -118.79 131.02 72.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.236 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -71.84 127.39 32.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.457 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.467 ' CZ ' ' O ' ' A' ' 54' ' ' GLY . 33.1 mtp180 -142.72 167.05 23.01 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.411 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.524 ' O ' ' N ' ' A' ' 54' ' ' GLY . 77.0 m95 -97.79 138.5 21.03 Favored Pre-proline 0 C--O 1.217 -0.651 0 C-N-CA 120.119 -0.632 . . . . 0.0 110.801 -179.582 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -64.65 -27.58 60.82 Favored 'Trans proline' 0 C--N 1.303 -1.833 0 C-N-CA 122.439 2.093 . . . . 0.0 112.579 -179.172 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -55.07 -51.85 65.06 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.737 -178.642 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.445 ' HG1' ' HD2' ' A' ' 55' ' ' TYR . 20.1 p -122.72 -28.72 4.12 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.012 179.478 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 50' ' ' TRP . . . 89.5 22.18 38.08 Favored Glycine 0 N--CA 1.463 0.441 0 C-N-CA 120.605 -0.807 . . . . 0.0 111.516 -179.819 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.445 ' HD2' ' HG1' ' A' ' 53' ' ' THR . 30.2 m-85 -82.59 157.87 23.28 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.936 -0.305 . . . . 0.0 110.774 179.649 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.535 ' O ' ' NH1' ' A' ' 26' ' ' ARG . 57.4 t -56.23 125.34 11.6 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.132 -179.291 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 33.0 tttm -73.63 -46.93 43.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.128 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 61.5 pttt -154.34 153.53 31.81 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.027 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.64 HD13 ' N ' ' A' ' 60' ' ' GLN . 0.2 OUTLIER -148.14 130.95 16.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.932 179.617 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.64 ' N ' HD13 ' A' ' 59' ' ' LEU . 30.6 tt0 -78.28 133.81 37.61 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.048 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 21.8 mtm180 -76.9 166.83 22.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.064 -179.424 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.542 HH12 ' NH1' ' A' ' 33' ' ' ARG . 11.8 ttt180 -67.0 -7.46 22.66 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.368 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -98.78 7.79 45.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.925 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 72.36 36.33 1.06 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.597 0.237 . . . . 0.0 111.227 179.643 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 32.2 p -120.49 130.7 54.39 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.071 179.561 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -79.42 123.05 27.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.554 -179.669 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -119.19 123.25 43.88 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.341 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -88.98 132.91 34.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.434 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.452 ' OH ' ' NE2' ' A' ' 29' ' ' GLN . 73.9 m-85 -103.15 157.73 16.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.843 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.458 HD21 ' HB2' ' A' ' 72' ' ' GLU . 5.5 t30 -99.06 118.93 36.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.997 179.422 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.1 pttm -55.19 -32.02 61.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.996 0.427 . . . . 0.0 110.625 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.458 ' HB2' HD21 ' A' ' 70' ' ' ASN . 99.2 mt-10 . . . . . 0 C--N 1.323 -0.567 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 179.562 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.4 ttpp . . . . . 0 C--O 1.236 0.347 0 CA-C-O 120.941 0.401 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.699 ' O ' HG23 ' A' ' 83' ' ' VAL . 1.8 mp0 -81.4 -35.21 31.0 Favored 'General case' 0 C--O 1.219 -0.541 0 CA-C-O 121.153 0.501 . . . . 0.0 110.666 179.757 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.464 HG21 ' N ' ' A' ' 17' ' ' TRP . 33.7 t -61.58 -43.28 96.72 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 C-N-CA 120.246 -0.582 . . . . 0.0 110.112 -179.364 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 35.2 m80 -66.51 -44.12 83.4 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.48 -21.86 55.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.951 0.405 . . . . 0.0 111.186 179.723 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.699 HG23 ' O ' ' A' ' 79' ' ' GLU . 54.6 t -82.35 136.55 22.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.136 179.287 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -106.36 157.87 17.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.177 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.813 HG13 ' CD1' ' A' ' 24' ' ' LEU . 31.6 t -127.15 120.28 54.91 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.135 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -87.05 147.84 25.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.808 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.459 ' O ' HG13 ' A' ' 87' ' ' VAL . 5.0 p -128.75 129.14 68.36 Favored 'Isoleucine or valine' 0 C--O 1.232 0.173 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.462 179.708 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 7.5 p90 . . . . . 0 C--O 1.219 -0.536 0 CA-C-O 118.079 -0.963 . . . . 0.0 110.462 179.73 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.5 m . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.824 0.345 . . . . 0.0 110.737 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.7 mp -133.99 131.7 55.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.007 179.629 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.6 t -124.37 -179.7 4.57 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.522 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 -114.82 134.23 55.3 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.064 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.52 152.1 26.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.533 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.447 ' C ' HG11 ' A' ' 80' ' ' VAL . 69.4 mttt -100.64 -42.98 6.31 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.808 -179.013 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -147.41 150.34 34.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.715 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.7 ' N ' HG21 ' A' ' 80' ' ' VAL . 61.0 t90 -52.73 135.62 34.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.815 179.777 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -164.41 161.41 21.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.358 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -48.68 -37.47 18.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.513 -179.555 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -68.31 -43.94 76.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.855 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.403 ' N ' HD13 ' A' ' 21' ' ' ILE . 8.1 mm -70.94 -60.25 2.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.273 -179.603 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.51 ' OE1' ' CZ ' ' A' ' 55' ' ' TYR . 88.2 tt0 -40.46 -47.99 2.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.268 -179.383 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -61.33 -48.93 79.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.204 179.546 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.831 ' CD1' HG13 ' A' ' 85' ' ' VAL . 68.3 mt -58.42 -39.27 79.32 Favored 'General case' 0 CA--C 1.512 -0.506 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.739 -179.485 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -58.39 -50.02 75.17 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.263 178.564 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.519 ' NH2' ' O ' ' A' ' 70' ' ' ASN . 94.0 mtt180 -62.12 -45.58 92.86 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 -179.607 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -60.67 -51.78 67.91 Favored 'General case' 0 CA--C 1.527 0.09 0 CA-C-N 116.493 -0.322 . . . . 0.0 110.319 179.704 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.549 ' NE2' ' O ' ' A' ' 84' ' ' LYS . 65.1 mt-30 -56.16 -41.63 75.73 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.124 -179.583 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 52.3 mm-40 -60.59 -41.81 95.45 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.753 178.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.514 ' O ' ' N ' ' A' ' 62' ' ' ARG . . . -72.48 -18.4 61.68 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.907 0.384 . . . . 0.0 110.453 179.461 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.433 ' O ' ' NE ' ' A' ' 62' ' ' ARG . . . 105.56 0.22 40.01 Favored Glycine 0 CA--C 1.527 0.817 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.535 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.529 ' CE2' ' O ' ' A' ' 60' ' ' GLN . 13.4 m-85 -95.74 148.88 22.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.078 0.466 . . . . 0.0 110.66 179.729 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.0 -39.13 15.95 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.764 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -166.33 173.62 9.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.699 -179.668 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -44.12 -30.66 0.79 Allowed 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.954 -179.2 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 95.0 mt -57.68 -48.72 82.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 C-N-CA 120.737 -0.385 . . . . 0.0 111.063 -178.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.535 ' O ' HG23 ' A' ' 41' ' ' VAL . 53.2 tp10 -69.12 -44.18 72.9 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.932 0.396 . . . . 0.0 111.397 -179.513 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.501 ' CD2' HD11 ' A' ' 59' ' ' LEU . 2.0 t80 -59.54 -49.78 76.45 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-O 121.55 0.691 . . . . 0.0 110.801 -178.269 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.593 ' O ' ' N ' ' A' ' 43' ' ' GLN . 58.1 mtpt -60.06 -38.78 83.84 Favored 'General case' 0 C--O 1.222 -0.345 0 O-C-N 122.083 -0.386 . . . . 0.0 110.618 -178.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -64.21 -39.39 93.88 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.821 0.344 . . . . 0.0 110.455 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 37' ' ' GLU . 64.2 t -59.14 -45.36 92.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.802 -178.824 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.447 ' HZ1' ' CB ' ' A' ' 60' ' ' GLN . 41.8 mmtm -102.65 -0.28 32.1 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.043 179.726 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.593 ' N ' ' O ' ' A' ' 39' ' ' LYS . 45.4 tt0 46.99 67.63 0.76 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.669 -179.564 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.421 HG22 ' HA ' ' A' ' 39' ' ' LYS . 33.1 m -119.51 -163.5 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.456 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -123.14 -33.87 3.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.733 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.5 mmt -134.92 160.68 37.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.825 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.492 HG13 ' HE2' ' A' ' 38' ' ' TYR . 97.2 t -104.37 142.04 18.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.443 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -74.48 118.45 17.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.935 0.398 . . . . 0.0 110.263 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 25.6 mtp85 -137.54 172.54 12.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.295 -179.343 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.4 ' HE1' ' HA ' ' A' ' 57' ' ' LYS . 73.8 m95 -101.53 143.01 25.75 Favored Pre-proline 0 C--O 1.221 -0.422 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.033 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -66.7 -26.79 45.47 Favored 'Trans proline' 0 C--N 1.303 -1.853 0 C-N-CA 122.506 2.137 . . . . 0.0 112.395 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.424 ' HG2' HG23 ' A' ' 53' ' ' THR . 33.7 tt0 -54.48 -53.46 54.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.971 -178.31 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.53 ' OG1' ' CD2' ' A' ' 55' ' ' TYR . 75.1 p -125.17 -32.09 3.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.954 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 97.43 25.25 11.13 Favored Glycine 0 C--O 1.224 -0.485 0 C-N-CA 120.658 -0.782 . . . . 0.0 111.234 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.53 ' CD2' ' OG1' ' A' ' 53' ' ' THR . 23.1 m-85 -85.51 161.78 19.21 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-O 120.604 0.24 . . . . 0.0 110.641 179.372 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.44 HG11 HD13 ' A' ' 59' ' ' LEU . 38.9 t -63.42 125.59 20.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.482 -178.516 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.4 ' HA ' ' HE1' ' A' ' 50' ' ' TRP . 75.5 tttt -78.26 -51.21 10.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.679 179.521 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 63.5 pttt -137.88 143.83 41.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.116 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.501 HD11 ' CD2' ' A' ' 38' ' ' TYR . 9.1 tp -147.9 128.27 13.95 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.529 ' O ' ' CE2' ' A' ' 32' ' ' TYR . 24.6 tt0 -80.78 132.65 35.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.693 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 7.3 mtm180 -76.96 166.79 22.85 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.8 -179.614 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.514 ' N ' ' O ' ' A' ' 30' ' ' ALA . 7.7 mtt-85 -65.58 -7.0 12.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.491 179.629 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.418 ' O ' ' CB ' ' A' ' 64' ' ' ASN . 96.5 m-20 -99.07 6.76 46.43 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.693 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.418 ' CB ' ' O ' ' A' ' 63' ' ' ASP . 2.5 m-20 78.27 -2.74 2.38 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-O 120.884 0.373 . . . . 0.0 110.639 179.758 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 23.9 p -81.01 127.64 32.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.404 179.664 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -76.12 127.97 34.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.469 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -125.68 116.89 22.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.297 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -81.84 139.06 34.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.419 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -108.55 157.96 17.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.835 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.519 ' O ' ' NH2' ' A' ' 26' ' ' ARG . 2.3 p-10 -99.76 138.76 36.4 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.686 179.649 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 40.1 pttt -82.38 -11.64 58.43 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.82 179.328 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 . . . . . 0 CA--C 1.509 -0.6 0 CA-C-O 118.956 -0.545 . . . . 0.0 110.952 -178.881 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 98.5 mttt . . . . . 0 C--O 1.24 0.603 0 CA-C-O 121.107 0.48 . . . . 0.0 110.75 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.683 ' O ' HG23 ' A' ' 83' ' ' VAL . 47.4 mp0 -78.21 -35.72 48.16 Favored 'General case' 0 C--O 1.213 -0.847 0 CA-C-O 121.164 0.506 . . . . 0.0 110.692 179.404 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.7 HG21 ' N ' ' A' ' 17' ' ' TRP . 55.3 t -57.07 -47.17 84.18 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.914 0 C-N-CA 120.178 -0.609 . . . . 0.0 110.139 179.604 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 16.6 t-160 -62.02 -46.92 87.08 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.385 -0.526 . . . . 0.0 111.862 -178.709 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -77.9 -25.06 48.26 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.675 -0.41 . . . . 0.0 111.821 -179.748 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.683 HG23 ' O ' ' A' ' 79' ' ' GLU . 24.0 t -71.26 132.19 33.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.26 -179.769 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.549 ' O ' ' NE2' ' A' ' 28' ' ' GLN . 29.8 mtmm -109.51 123.73 49.88 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.969 179.157 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.831 HG13 ' CD1' ' A' ' 24' ' ' LEU . 21.8 t -95.64 121.18 45.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.918 0.39 . . . . 0.0 110.656 -179.029 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.501 ' O ' ' CD1' ' A' ' 86' ' ' TYR . 0.4 OUTLIER -81.77 149.7 28.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.595 -179.931 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 8.8 m -126.27 137.4 57.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.656 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 50.4 p90 . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 117.911 -1.042 . . . . 0.0 110.512 179.755 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 72.1 m . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 120.911 0.386 . . . . 0.0 110.658 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.3 mp -135.69 134.87 51.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.79 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 20.6 t -115.48 178.57 4.25 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.451 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.43 127.56 55.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.676 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.55 146.71 53.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.553 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.749 ' C ' HG11 ' A' ' 80' ' ' VAL . 8.5 mmtm -103.88 -40.74 6.12 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.158 179.554 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.895 ' CD ' ' H ' ' A' ' 17' ' ' TRP . 0.4 OUTLIER -125.86 175.2 7.82 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.115 178.899 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.895 ' H ' ' CD ' ' A' ' 16' ' ' LYS . 64.4 t90 -95.89 131.96 41.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.207 178.645 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 21' ' ' ILE . 50.4 m -159.97 159.84 32.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.754 179.59 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.2 pt-20 -44.13 -28.37 0.49 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.231 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -68.22 -44.0 76.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.384 179.23 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.423 ' N ' ' O ' ' A' ' 18' ' ' SER . 8.4 mm -72.44 -60.95 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.283 -0.417 . . . . 0.0 109.898 -179.423 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.47 ' CD ' ' N ' ' A' ' 23' ' ' ASN . 2.3 tm-20 -39.87 -51.13 2.46 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.589 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.47 ' N ' ' CD ' ' A' ' 22' ' ' GLU . 10.7 t-20 -58.15 -49.63 76.31 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.031 -179.356 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.761 ' CD1' HG13 ' A' ' 85' ' ' VAL . 75.9 mt -57.82 -40.92 81.13 Favored 'General case' 0 CA--C 1.513 -0.468 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.476 -179.577 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -59.32 -49.15 78.95 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 178.347 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.447 ' NH2' ' O ' ' A' ' 70' ' ' ASN . 95.0 mtt180 -61.48 -47.22 86.65 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.0 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -61.29 -50.48 72.83 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-O 120.858 0.361 . . . . 0.0 110.568 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -57.08 -41.7 79.3 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.884 -179.681 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.462 ' O ' ' NH1' ' A' ' 62' ' ' ARG . 80.4 mm-40 -61.37 -39.8 91.96 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.809 0.338 . . . . 0.0 110.489 178.509 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.16 -16.33 61.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.367 179.578 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 102.89 7.31 44.63 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.561 -0.615 . . . . 0.0 111.561 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.615 ' CE1' HG21 ' A' ' 41' ' ' VAL . 15.3 m-85 -108.6 151.51 26.03 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.818 0.342 . . . . 0.0 110.507 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.04 -39.02 16.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.114 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -170.61 179.87 3.15 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.507 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -40.8 -36.18 0.59 Allowed 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.376 -179.55 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 94.4 mt -48.01 -62.3 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 C-N-CA 120.789 -0.364 . . . . 0.0 111.375 -179.318 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.597 ' O ' HG23 ' A' ' 41' ' ' VAL . 1.1 tm-20 -65.03 -48.37 74.09 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.861 -0.335 . . . . 0.0 111.58 -179.126 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.448 ' CD1' ' C ' ' A' ' 38' ' ' TYR . 1.7 t80 -53.21 -51.17 63.0 Favored 'General case' 0 N--CA 1.444 -0.733 0 C-N-CA 120.098 -0.641 . . . . 0.0 110.779 -177.602 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.604 ' O ' ' N ' ' A' ' 43' ' ' GLN . 29.3 mttp -61.73 -42.41 98.93 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 120.891 -0.323 . . . . 0.0 110.773 -179.621 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -62.19 -40.7 96.94 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.934 -179.402 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.615 HG21 ' CE1' ' A' ' 32' ' ' TYR . 76.6 t -60.11 -46.23 94.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.958 -178.709 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.57 ' O ' HG13 ' A' ' 44' ' ' VAL . 64.8 mmtt -103.95 7.52 36.7 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.853 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.604 ' N ' ' O ' ' A' ' 39' ' ' LYS . 94.0 mt-30 44.73 54.73 6.42 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.609 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.57 HG13 ' O ' ' A' ' 42' ' ' LYS . 18.9 m -125.26 -170.6 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.621 -179.749 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -142.97 -36.44 0.38 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 29.7 mmm -95.08 129.32 42.21 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.147 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.0 t -107.89 134.97 48.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.284 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -71.49 123.43 22.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.811 0.339 . . . . 0.0 110.488 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.53 ' NE ' ' O ' ' A' ' 54' ' ' GLY . 33.2 mtp180 -141.76 164.29 30.6 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.478 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.476 ' O ' ' N ' ' A' ' 54' ' ' GLY . 75.0 m95 -93.86 139.21 22.61 Favored Pre-proline 0 C--O 1.223 -0.313 0 C-N-CA 120.463 -0.495 . . . . 0.0 110.945 -179.691 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -64.25 -29.57 64.15 Favored 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 122.587 2.191 . . . . 0.0 112.546 -179.334 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -49.68 -50.8 42.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.418 -178.778 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.518 ' OG1' ' CD2' ' A' ' 55' ' ' TYR . 21.3 p -128.47 -31.69 2.25 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.978 179.547 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.53 ' O ' ' NE ' ' A' ' 49' ' ' ARG . . . 97.09 23.71 14.31 Favored Glycine 0 C--O 1.227 -0.317 0 N-CA-C 111.283 -0.727 . . . . 0.0 111.283 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.518 ' CD2' ' OG1' ' A' ' 53' ' ' THR . 28.9 m-85 -81.58 158.53 24.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.627 0.251 . . . . 0.0 110.563 179.644 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.559 HG11 HD13 ' A' ' 59' ' ' LEU . 48.5 t -59.68 124.71 14.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.836 -179.386 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 44.0 tttm -75.92 -47.02 26.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.055 179.45 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -145.26 145.79 31.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.234 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.559 HD13 HG11 ' A' ' 56' ' ' VAL . 7.2 tp -146.36 127.01 14.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.969 0.414 . . . . 0.0 110.648 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -81.47 132.88 35.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.419 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.415 ' HE ' ' HB2' ' A' ' 67' ' ' PHE . 7.9 mtt180 -75.3 171.54 14.02 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.221 0.534 . . . . 0.0 110.706 -179.514 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.676 ' H ' ' CD ' ' A' ' 62' ' ' ARG . 0.1 OUTLIER -68.22 -11.27 59.03 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.349 179.029 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -94.97 8.37 43.07 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.652 -179.071 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 18.3 m-20 70.41 37.43 1.54 Allowed 'General case' 0 C--N 1.329 -0.288 0 O-C-N 123.535 0.522 . . . . 0.0 110.839 179.458 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 21.6 p -118.69 126.53 52.11 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.649 179.457 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -73.65 120.16 18.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.334 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.415 ' HB2' ' HE ' ' A' ' 61' ' ' ARG . 50.3 t80 -119.85 118.02 29.68 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.299 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -82.12 137.03 35.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.49 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -107.71 152.11 24.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.864 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.447 ' O ' ' NH2' ' A' ' 26' ' ' ARG . 8.9 t30 -94.21 125.81 39.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.994 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.407 ' HG3' ' N ' ' A' ' 72' ' ' GLU . 21.6 pttm -68.08 -33.13 73.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.33 0.586 . . . . 0.0 110.614 179.265 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.439 ' HB2' HD21 ' A' ' 70' ' ' ASN . 90.7 mt-10 . . . . . 0 C--N 1.323 -0.575 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.88 179.66 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt . . . . . 0 C--O 1.237 0.445 0 CA-C-O 120.87 0.367 . . . . 0.0 110.781 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.666 ' O ' HG23 ' A' ' 83' ' ' VAL . 0.5 OUTLIER -79.72 -32.66 41.25 Favored 'General case' 0 C--O 1.22 -0.499 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.446 -179.607 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.749 HG11 ' C ' ' A' ' 15' ' ' LYS . 72.5 t -60.71 -46.39 96.01 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 C-N-CA 120.357 -0.537 . . . . 0.0 110.369 179.609 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 60.7 t-80 -65.42 -45.99 81.74 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -178.029 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.02 -20.4 59.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.74 -179.536 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 79' ' ' GLU . 73.8 t -89.1 134.62 27.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.899 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -105.32 160.2 15.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.169 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.761 HG13 ' CD1' ' A' ' 24' ' ' LEU . 8.5 t -124.92 117.75 51.1 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.111 0 CA-C-O 120.857 0.36 . . . . 0.0 110.374 -179.471 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.585 ' O ' ' CD1' ' A' ' 86' ' ' TYR . 0.4 OUTLIER -75.09 144.1 43.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.489 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.6 m -128.39 126.8 66.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.048 0.452 . . . . 0.0 110.818 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 38.4 p90 . . . . . 0 C--O 1.221 -0.418 0 CA-C-O 117.978 -1.01 . . . . 0.0 110.421 179.756 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.8 m . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.864 0.364 . . . . 0.0 110.769 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.1 mp -133.37 123.22 46.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.353 179.196 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.9 m -135.39 137.14 42.02 Favored 'General case' 0 C--O 1.219 -0.533 0 C-N-CA 121.102 -0.239 . . . . 0.0 111.002 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -71.88 153.34 41.94 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.42 0.629 . . . . 0.0 109.891 -178.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.442 ' HB2' HD12 ' A' ' 21' ' ' ILE . . . -78.23 159.71 28.35 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.204 -179.358 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.81 -40.98 12.11 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 120.625 0.25 . . . . 0.0 110.417 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.41 ' CA ' HG11 ' A' ' 80' ' ' VAL . 15.1 tptt -133.52 -173.68 3.29 Favored 'General case' 0 C--O 1.226 -0.132 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.094 179.657 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.53 ' NE1' ' OE1' ' A' ' 22' ' ' GLU . 49.9 t90 -96.59 127.96 43.07 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.122 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 21.3 m -154.94 156.42 36.04 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.528 179.195 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -45.12 -28.99 0.82 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.314 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.48 ' OE1' ' N ' ' A' ' 20' ' ' GLU . 49.3 mp0 -69.58 -44.97 69.72 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.064 179.201 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.562 HD13 ' N ' ' A' ' 21' ' ' ILE . 3.9 mm -72.52 -60.97 1.9 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.387 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.31 -179.199 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.53 ' OE1' ' NE1' ' A' ' 17' ' ' TRP . 4.0 tp10 -46.73 -46.37 20.24 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.388 -178.49 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -56.82 -49.9 74.0 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.58 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.803 ' CD1' HG13 ' A' ' 85' ' ' VAL . 75.2 mt -55.79 -39.95 72.0 Favored 'General case' 0 C--O 1.215 -0.729 0 C-N-CA 120.459 -0.496 . . . . 0.0 110.155 -179.589 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 93.1 t80 -63.3 -47.22 83.18 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.844 0.354 . . . . 0.0 110.247 178.015 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.452 ' O ' ' HG3' ' A' ' 29' ' ' GLN . 87.1 mtt180 -60.63 -46.86 88.71 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.329 -179.307 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.465 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 24.9 m-85 -69.94 -46.57 65.04 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.932 0.396 . . . . 0.0 110.769 179.378 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -51.99 -50.62 60.95 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.833 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.452 ' HG3' ' O ' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -55.43 -18.59 7.23 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.115 0.483 . . . . 0.0 110.255 179.748 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 27' ' ' PHE . . . -89.81 -17.99 27.11 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.9 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.528 ' O ' ' NH2' ' A' ' 62' ' ' ARG . . . 106.35 3.11 38.28 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.652 -0.579 . . . . 0.0 111.652 -179.758 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.642 ' CE1' HG21 ' A' ' 41' ' ' VAL . 31.0 m-85 -105.75 146.27 30.04 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 120.954 0.407 . . . . 0.0 110.966 179.614 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.462 ' CD ' ' H ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -81.18 -35.01 31.93 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.296 179.795 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.483 ' OD2' HD12 ' A' ' 36' ' ' ILE . 46.6 p30 -157.0 166.53 33.09 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-O 121.044 0.449 . . . . 0.0 110.511 179.645 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -51.33 -27.89 10.82 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.845 -179.652 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.483 HD12 ' OD2' ' A' ' 34' ' ' ASP . 93.4 mt -58.25 -47.99 86.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.688 -178.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 33.2 tp10 -65.52 -38.88 90.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.93 0.395 . . . . 0.0 110.397 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.589 ' CD1' HD11 ' A' ' 59' ' ' LEU . 22.6 t80 -60.54 -47.49 85.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.586 179.379 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.566 ' O ' ' N ' ' A' ' 43' ' ' GLN . 98.3 mttt -60.23 -39.45 86.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.964 -178.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.45 -42.55 98.94 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.163 0.506 . . . . 0.0 110.45 -179.753 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.642 HG21 ' CE1' ' A' ' 32' ' ' TYR . 79.4 t -62.7 -42.54 96.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.155 -179.473 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.7 mmtt -96.37 -0.02 49.97 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.292 179.631 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.566 ' N ' ' O ' ' A' ' 39' ' ' LYS . 96.4 mm-40 41.89 50.9 4.17 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.618 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.555 ' O ' ' HB2' ' A' ' 45' ' ' ALA . 8.0 m -102.26 -112.87 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.898 0.38 . . . . 0.0 110.749 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.555 ' HB2' ' O ' ' A' ' 44' ' ' VAL . . . 170.65 -24.89 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.666 -179.718 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.444 ' SD ' ' C ' ' A' ' 46' ' ' MET . 3.6 ppp? -141.67 152.02 43.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.319 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 19.4 t -109.44 136.6 44.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.299 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -61.86 129.45 41.02 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.542 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 91.1 mtt-85 -140.96 159.16 42.8 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.987 -179.28 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.541 ' O ' ' N ' ' A' ' 54' ' ' GLY . 67.9 m95 -92.55 138.13 24.06 Favored Pre-proline 0 C--O 1.216 -0.7 0 C-N-CA 120.222 -0.591 . . . . 0.0 110.635 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -64.11 -33.21 62.26 Favored 'Trans proline' 0 C--N 1.3 -2.008 0 C-N-CA 122.366 2.044 . . . . 0.0 112.49 -179.4 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -51.67 -50.56 60.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.233 -178.207 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 13.1 p -123.05 -30.02 3.82 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.816 0.341 . . . . 0.0 111.469 179.538 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.541 ' N ' ' O ' ' A' ' 50' ' ' TRP . . . 89.49 21.62 40.11 Favored Glycine 0 N--CA 1.464 0.541 0 C-N-CA 120.53 -0.843 . . . . 0.0 111.126 -179.679 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -80.56 163.37 23.74 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.621 179.645 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 75.9 t -60.09 123.51 12.73 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.335 0 O-C-N 123.565 0.54 . . . . 0.0 110.085 -179.62 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.404 ' HA ' ' HE1' ' A' ' 50' ' ' TRP . 38.7 tttm -77.24 -49.51 14.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.956 0.407 . . . . 0.0 110.989 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -150.84 148.98 29.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.75 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.596 HD13 ' N ' ' A' ' 60' ' ' GLN . 0.2 OUTLIER -147.59 129.37 15.21 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.032 179.394 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.596 ' N ' HD13 ' A' ' 59' ' ' LEU . 29.4 tt0 -79.14 134.03 36.72 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.305 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.3 mtm180 -78.47 172.67 13.31 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.604 0.716 . . . . 0.0 110.657 -179.151 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.528 ' NH2' ' O ' ' A' ' 31' ' ' GLY . 8.1 tpp180 -68.79 -11.13 60.04 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.387 179.154 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -95.96 12.37 30.63 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.997 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 64.63 37.94 7.44 Favored 'General case' 0 N--CA 1.454 -0.267 0 O-C-N 123.823 0.702 . . . . 0.0 111.261 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 24.5 p -117.88 126.58 52.64 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.417 179.033 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -72.27 122.97 21.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.414 -179.709 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -120.18 111.78 18.27 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.106 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -82.3 135.35 35.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.676 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.447 ' OH ' ' CG ' ' A' ' 29' ' ' GLN . 74.8 m-85 -105.55 153.15 22.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.369 179.568 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -94.31 112.55 24.35 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.681 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.504 ' HG3' ' N ' ' A' ' 72' ' ' GLU . 60.5 pttt -43.39 -37.26 2.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.118 0.485 . . . . 0.0 110.485 -179.637 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.504 ' N ' ' HG3' ' A' ' 71' ' ' LYS . 2.8 tt0 . . . . . 0 C--N 1.322 -0.616 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 26.2 mmtm . . . . . 0 C--O 1.234 0.269 0 CA-C-O 121.049 0.452 . . . . 0.0 110.82 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.858 ' O ' HG23 ' A' ' 83' ' ' VAL . 3.8 mm-40 -82.12 -32.16 30.3 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.257 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.41 HG11 ' CA ' ' A' ' 16' ' ' LYS . 84.7 t -58.0 -40.51 77.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.164 0.507 . . . . 0.0 109.844 -179.709 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 55.4 m170 -73.43 -39.37 65.05 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.061 179.274 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.66 -21.43 62.6 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.719 179.484 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.858 HG23 ' O ' ' A' ' 79' ' ' GLU . 92.2 t -87.25 138.44 19.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.468 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -108.32 141.87 39.49 Favored 'General case' 0 C--O 1.225 -0.214 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.564 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.803 HG13 ' CD1' ' A' ' 24' ' ' LEU . 49.3 t -116.62 122.81 70.7 Favored 'Isoleucine or valine' 0 C--O 1.231 0.119 0 CA-C-O 120.98 0.419 . . . . 0.0 110.411 179.733 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.559 ' O ' ' CD1' ' A' ' 86' ' ' TYR . 0.4 OUTLIER -88.0 146.42 25.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.495 179.91 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.529 ' O ' HG13 ' A' ' 87' ' ' VAL . 4.6 p -128.41 125.76 64.46 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.455 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 20.2 p90 . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 118.062 -0.97 . . . . 0.0 110.383 179.771 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 71.3 m . . . . . 0 CA--C 1.523 -0.076 0 CA-C-O 120.798 0.332 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.6 mp -126.91 132.03 70.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.417 179.374 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 45.8 t -122.95 178.16 5.18 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.478 -179.448 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.523 HH12 ' C ' ' A' ' 82' ' ' LYS . 26.3 mmt180 -117.64 132.16 56.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.785 179.676 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.47 ' HB2' HD12 ' A' ' 21' ' ' ILE . . . -66.3 152.41 45.02 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.592 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.702 ' CD ' ' H ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -95.16 -38.1 10.74 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.389 -179.644 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.452 ' CG ' ' N ' ' A' ' 17' ' ' TRP . 0.2 OUTLIER -136.88 -171.33 2.91 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 -179.661 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.452 ' N ' ' CG ' ' A' ' 16' ' ' LYS . 65.4 t90 -97.2 127.94 43.62 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.792 179.243 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 21' ' ' ILE . 47.2 t -155.5 156.02 34.48 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.462 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.2 pt-20 -43.76 -29.92 0.59 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.366 -179.45 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -66.02 -43.05 88.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.515 179.033 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.47 HD12 ' HB2' ' A' ' 14' ' ' ALA . 6.1 mm -72.9 -58.74 4.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 109.889 -179.667 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.462 ' CD ' ' N ' ' A' ' 23' ' ' ASN . 2.3 tm-20 -43.33 -52.15 5.98 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.886 -0.412 . . . . 0.0 109.886 -179.41 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.507 ' ND2' ' CE1' ' A' ' 27' ' ' PHE . 17.4 t-20 -57.38 -49.43 76.2 Favored 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 120.338 -0.545 . . . . 0.0 110.622 -179.648 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.805 ' CD1' HG13 ' A' ' 85' ' ' VAL . 62.0 mt -57.58 -41.63 81.51 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 119.974 -0.69 . . . . 0.0 109.999 -179.151 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -60.69 -48.79 80.19 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.483 178.458 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -62.15 -45.87 91.48 Favored 'General case' 0 C--O 1.225 -0.222 0 C-N-CA 120.569 -0.453 . . . . 0.0 110.641 -179.203 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.507 ' CE1' ' ND2' ' A' ' 23' ' ' ASN . 9.0 m-85 -66.31 -47.61 72.98 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.175 -0.61 . . . . 0.0 110.469 -179.204 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -59.2 -44.19 92.23 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.123 -179.063 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.544 ' NE2' ' OH ' ' A' ' 69' ' ' TYR . 2.3 pp0? -69.78 -22.31 63.35 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.144 -0.622 . . . . 0.0 109.652 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.97 -16.71 43.11 Favored 'General case' 0 N--CA 1.457 -0.103 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.705 179.356 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.495 ' O ' ' NE ' ' A' ' 62' ' ' ARG . . . 107.8 -0.88 33.98 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.538 -0.625 . . . . 0.0 111.538 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.537 ' CD1' ' OE1' ' A' ' 37' ' ' GLU . 2.5 m-85 -110.63 148.85 31.37 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-O 121.176 0.512 . . . . 0.0 110.021 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.79 -35.56 19.07 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.996 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.446 ' CG ' ' H ' ' A' ' 35' ' ' GLU . 39.7 t0 -171.66 -178.37 2.24 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.496 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.446 ' H ' ' CG ' ' A' ' 34' ' ' ASP . 22.8 pt-20 -44.56 -41.72 6.72 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.908 -178.419 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -47.55 -63.69 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.437 -1.095 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.661 -179.304 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.537 ' OE1' ' CD1' ' A' ' 32' ' ' TYR . 13.0 tm-20 -64.33 -40.69 96.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.065 -178.477 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.57 ' CE2' HD11 ' A' ' 59' ' ' LEU . 1.4 t80 -59.64 -51.13 71.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.42 0.629 . . . . 0.0 110.44 -178.193 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.605 ' O ' ' N ' ' A' ' 43' ' ' GLN . 5.4 mtpm? -57.75 -39.57 77.7 Favored 'General case' 0 CA--C 1.509 -0.6 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.657 -178.428 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.534 ' O ' ' NE2' ' A' ' 43' ' ' GLN . 0.7 OUTLIER -60.68 -42.31 96.85 Favored 'General case' 0 C--N 1.319 -0.759 0 C-N-CA 120.609 -0.437 . . . . 0.0 110.655 -179.814 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 74.4 t -59.43 -46.07 93.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.709 -178.734 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.524 ' O ' HG13 ' A' ' 44' ' ' VAL . 38.7 mmtm -102.65 3.97 37.73 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.834 -0.347 . . . . 0.0 110.89 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.605 ' N ' ' O ' ' A' ' 39' ' ' LYS . 97.4 mm-40 47.72 51.3 14.25 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.633 -179.747 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.524 HG13 ' O ' ' A' ' 42' ' ' LYS . 31.9 m -124.75 -172.49 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.479 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -135.33 -34.87 0.84 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.933 -179.479 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 26.4 ptt? -97.94 147.86 24.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.953 -179.692 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 47.8 t -116.41 134.79 58.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -72.33 122.36 21.02 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 110.351 -0.24 . . . . 0.0 110.351 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 41.4 mtt180 -140.48 163.89 31.62 Favored 'General case' 0 C--O 1.233 0.218 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.337 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.498 ' O ' ' N ' ' A' ' 54' ' ' GLY . 91.3 m95 -89.86 140.43 27.77 Favored Pre-proline 0 C--O 1.221 -0.406 0 C-N-CA 120.193 -0.603 . . . . 0.0 110.981 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -65.75 -28.71 51.5 Favored 'Trans proline' 0 N--CA 1.499 1.816 0 C-N-CA 122.062 1.841 . . . . 0.0 112.965 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -57.59 -50.41 73.21 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.898 -178.154 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 81.9 p -119.61 -27.82 5.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.74 -179.172 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 50' ' ' TRP . . . 90.45 13.79 59.44 Favored Glycine 0 CA--C 1.524 0.627 0 C-N-CA 120.232 -0.985 . . . . 0.0 111.088 -178.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -84.6 157.09 21.31 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 120.24 -0.584 . . . . 0.0 111.112 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.474 HG11 HD13 ' A' ' 59' ' ' LEU . 38.8 t -57.43 125.97 14.26 Favored 'Isoleucine or valine' 0 C--O 1.232 0.181 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.433 -179.097 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.441 ' CD ' ' CZ2' ' A' ' 50' ' ' TRP . 24.7 ttpp -76.4 -51.37 11.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.124 179.53 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -143.17 145.37 32.75 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.292 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.57 HD11 ' CE2' ' A' ' 38' ' ' TYR . 6.1 tp -146.36 129.84 16.85 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.162 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -80.25 134.09 36.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.664 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 7.4 mtm180 -76.38 171.06 15.2 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.887 -179.393 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.495 ' NE ' ' O ' ' A' ' 31' ' ' GLY . 7.8 mtt180 -67.85 -9.63 46.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.007 179.302 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -97.88 14.35 27.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.063 -179.578 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 63.65 38.2 9.64 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-O 120.769 0.318 . . . . 0.0 111.268 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 24.5 p -120.29 130.35 54.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.461 178.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 -73.36 120.85 19.54 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.3 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -118.73 114.47 22.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.123 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -82.88 135.51 34.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.726 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.544 ' OH ' ' NE2' ' A' ' 29' ' ' GLN . 58.8 m-85 -105.31 150.99 24.7 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.653 179.611 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 72' ' ' GLU . 7.7 t30 -93.8 118.05 30.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.189 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.1 ptmm? -59.4 -34.79 72.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.301 179.59 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.448 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 99.6 mt-10 . . . . . 0 C--N 1.321 -0.669 0 C-N-CA 120.103 -0.639 . . . . 0.0 109.876 179.574 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.175 0 CA-C-O 121.054 0.454 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.687 ' O ' HG23 ' A' ' 83' ' ' VAL . 79.5 mm-40 -82.63 -30.35 29.46 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.466 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 77.6 t -58.77 -46.78 90.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.513 ' O ' ' NH1' ' A' ' 13' ' ' ARG . 69.2 m80 -67.67 -40.1 84.47 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.026 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.523 ' C ' HH12 ' A' ' 13' ' ' ARG . 0.1 OUTLIER -70.34 -27.24 64.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.857 0.36 . . . . 0.0 110.68 179.838 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.687 HG23 ' O ' ' A' ' 79' ' ' GLU . 97.6 t -85.96 135.38 25.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.782 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -104.55 157.36 17.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.134 179.755 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.805 HG13 ' CD1' ' A' ' 24' ' ' LEU . 17.5 t -124.53 120.45 59.03 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.562 ' O ' ' CD1' ' A' ' 86' ' ' TYR . 0.3 OUTLIER -88.42 146.69 25.09 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.953 -179.522 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.9 m -128.8 127.01 65.92 Favored 'Isoleucine or valine' 0 C--O 1.232 0.132 0 CA-C-O 121.124 0.488 . . . . 0.0 110.646 179.688 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 35.3 p90 . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 117.93 -1.033 . . . . 0.0 110.437 -179.92 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 41.6 m . . . . . 0 N--CA 1.454 -0.255 0 CA-C-O 120.791 0.329 . . . . 0.0 110.696 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.2 mp -130.29 131.75 65.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.348 179.298 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 65.3 m -120.57 176.2 5.62 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.589 -179.548 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.6 mmt85 -114.87 131.6 56.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.265 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.568 ' HB3' HG13 ' A' ' 80' ' ' VAL . . . -63.17 146.06 54.16 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.795 -179.524 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.424 ' C ' HG11 ' A' ' 80' ' ' VAL . 95.5 mttt -88.98 -38.97 14.04 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.779 -0.368 . . . . 0.0 111.762 -179.675 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.411 ' C ' HG21 ' A' ' 80' ' ' VAL . 88.3 tttt -149.3 151.04 33.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.434 -179.471 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.719 ' N ' HG21 ' A' ' 80' ' ' VAL . 71.4 t90 -54.34 134.6 45.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.05 -179.175 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -159.49 159.88 34.01 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.102 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -47.62 -31.96 5.07 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.35 -179.07 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -69.46 -39.42 77.76 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.66 178.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.52 HD13 ' N ' ' A' ' 21' ' ' ILE . 3.5 mm -70.74 -58.13 6.08 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.356 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 -178.703 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.474 ' CD ' ' N ' ' A' ' 23' ' ' ASN . 1.7 tm-20 -44.53 -50.61 9.48 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 120.539 -0.464 . . . . 0.0 109.871 -178.864 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.474 ' N ' ' CD ' ' A' ' 22' ' ' GLU . 16.6 t-20 -58.06 -49.07 78.17 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.931 -179.202 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.788 HD13 HG13 ' A' ' 85' ' ' VAL . 54.2 mt -59.59 -40.76 88.5 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.016 -0.673 . . . . 0.0 110.041 -179.432 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -61.27 -49.38 77.31 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.418 178.315 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.42 ' O ' ' HG3' ' A' ' 29' ' ' GLN . 94.6 mtt180 -61.67 -44.17 97.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.368 0.604 . . . . 0.0 110.02 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.457 ' CE2' ' C ' ' A' ' 34' ' ' ASP . 6.4 m-85 -65.64 -49.07 70.01 Favored 'General case' 0 C--N 1.321 -0.639 0 O-C-N 121.437 -0.789 . . . . 0.0 110.651 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -59.73 -45.85 90.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.48 -179.444 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.42 ' HG3' ' O ' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -67.0 -21.33 65.95 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.559 -0.456 . . . . 0.0 109.813 179.777 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -89.06 -14.25 36.8 Favored 'General case' 0 CA--C 1.528 0.123 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.624 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 103.3 -4.84 48.41 Favored Glycine 0 CA--C 1.528 0.855 0 N-CA-C 111.325 -0.71 . . . . 0.0 111.325 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.506 ' CE1' HG21 ' A' ' 41' ' ' VAL . 15.3 m-85 -100.16 150.6 22.34 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-O 121.022 0.439 . . . . 0.0 110.078 -179.714 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.98 -38.41 16.64 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.838 -179.336 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.457 ' C ' ' CE2' ' A' ' 27' ' ' PHE . 44.7 t0 -168.69 177.27 5.21 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.536 -179.585 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.428 ' H ' ' CG ' ' A' ' 34' ' ' ASP . 98.5 mt-10 -45.95 -32.08 2.54 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 123.555 0.534 . . . . 0.0 110.939 -179.001 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 93.2 mt -57.84 -48.75 83.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.962 -179.047 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.502 ' O ' HG23 ' A' ' 41' ' ' VAL . 51.1 tp10 -68.71 -42.86 77.1 Favored 'General case' 0 CA--C 1.513 -0.447 0 C-N-CA 120.889 -0.324 . . . . 0.0 111.612 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.531 ' CD2' HD11 ' A' ' 59' ' ' LEU . 1.7 t80 -58.64 -50.19 74.74 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 119.46 -0.896 . . . . 0.0 110.157 -178.028 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.525 ' O ' ' N ' ' A' ' 43' ' ' GLN . 57.7 mttp -59.0 -40.49 85.04 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.727 -179.22 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -62.45 -40.1 95.5 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.702 179.478 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.506 HG21 ' CE1' ' A' ' 32' ' ' TYR . 60.2 t -58.84 -45.95 91.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.896 -179.27 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.577 ' O ' HG13 ' A' ' 44' ' ' VAL . 43.5 mmtm -100.8 5.72 43.59 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.657 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.525 ' N ' ' O ' ' A' ' 39' ' ' LYS . 6.2 tp60 46.84 53.2 10.62 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.746 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.577 HG13 ' O ' ' A' ' 42' ' ' LYS . 34.1 m -125.24 -171.73 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.447 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -145.93 30.2 1.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.719 -179.624 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 4.0 mmm -159.89 128.41 4.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.001 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.489 HG13 ' HE2' ' A' ' 38' ' ' TYR . 80.5 t -108.34 130.19 61.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.368 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -71.34 125.48 27.1 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.953 -0.299 . . . . 0.0 110.36 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 35.4 mtt85 -138.1 170.64 15.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.365 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 69.7 m95 -99.25 142.46 24.65 Favored Pre-proline 0 CA--C 1.534 0.332 0 C-N-CA 120.218 -0.593 . . . . 0.0 110.988 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -66.66 -24.24 48.16 Favored 'Trans proline' 0 N--CA 1.497 1.704 0 C-N-CA 122.242 1.961 . . . . 0.0 112.687 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -51.73 -52.64 46.95 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.135 -177.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 23.5 p -130.96 -26.89 2.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.116 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 96.82 27.55 9.5 Favored Glycine 0 CA--C 1.523 0.555 0 C-N-CA 120.417 -0.897 . . . . 0.0 111.559 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -88.75 158.94 18.01 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.39 -0.524 . . . . 0.0 110.627 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 61.0 t -59.34 126.24 16.69 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.07 -178.645 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 77.2 tttt -79.46 -49.94 11.54 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.712 179.573 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -138.91 141.59 38.52 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.253 -179.581 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.531 HD11 ' CD2' ' A' ' 38' ' ' TYR . 9.3 tp -147.0 129.0 15.47 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.166 -0.613 . . . . 0.0 110.114 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.519 ' CB ' ' HZ1' ' A' ' 42' ' ' LYS . 29.6 tt0 -79.73 133.87 36.36 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.985 -179.666 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 22.1 mtm180 -76.48 168.97 19.13 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.807 -179.099 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.24 -8.0 28.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.919 179.251 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -98.2 12.49 34.44 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.153 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 63.0 m-20 65.43 37.44 6.19 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.987 0.423 . . . . 0.0 111.507 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 28.1 p -119.93 132.1 55.42 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.494 179.021 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -77.09 121.17 23.19 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 -179.476 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -120.33 116.13 24.92 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.276 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -82.36 132.35 35.22 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.044 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -99.69 156.31 17.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.678 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.408 ' O ' ' NH2' ' A' ' 26' ' ' ARG . 11.2 t-20 -93.63 115.79 28.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.457 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.46 -22.27 63.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.13 179.533 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 CA-C-O 121.353 0.597 . . . . 0.0 109.632 179.388 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.506 ' N ' ' CD ' ' A' ' 78' ' ' LYS . 10.9 mptt . . . . . 0 C--O 1.237 0.438 0 CA-C-O 121.027 0.441 . . . . 0.0 110.659 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.652 ' O ' HG23 ' A' ' 83' ' ' VAL . 1.0 OUTLIER -78.39 -34.5 48.13 Favored 'General case' 0 C--O 1.216 -0.69 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.95 179.827 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.719 HG21 ' N ' ' A' ' 17' ' ' TRP . 62.2 t -61.32 -45.0 99.48 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 C-N-CA 119.743 -0.783 . . . . 0.0 110.933 179.517 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -63.36 -44.71 94.02 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.982 -0.554 . . . . 0.0 112.02 -178.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.0 -22.41 42.5 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 120.347 -0.541 . . . . 0.0 110.959 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 79' ' ' GLU . 79.7 t -84.71 135.98 23.71 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.836 179.682 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 56.9 pttt -110.12 151.12 27.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.89 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.788 HG13 HD13 ' A' ' 24' ' ' LEU . 46.6 t -120.69 121.56 65.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 10.3 p90 -83.46 143.0 30.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.498 -179.487 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 6.1 m -126.58 131.56 71.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 CA-C-O 121.086 0.469 . . . . 0.0 110.744 179.606 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 55.7 p90 . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.404 -179.984 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 71.1 m . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.853 0.359 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.7 mp -129.18 134.79 63.32 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.236 179.472 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.3 t -121.87 178.46 4.86 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.578 -179.57 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 90.5 mtt-85 -114.32 132.89 56.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.96 179.688 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.64 144.49 56.21 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.314 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.437 ' C ' HG11 ' A' ' 80' ' ' VAL . 57.8 mmtt -96.64 -41.03 8.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.84 0.352 . . . . 0.0 111.141 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -146.57 148.8 32.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.023 0.44 . . . . 0.0 110.783 -179.637 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.511 ' N ' HG21 ' A' ' 80' ' ' VAL . 66.5 t90 -53.69 136.25 39.7 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.012 179.471 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.4 p -161.55 163.9 29.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.955 179.18 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 47.4 mp0 -51.08 -35.81 36.85 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.859 -178.127 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -67.94 -41.36 82.66 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.648 179.373 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 7.9 mm -71.21 -58.15 5.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 C-N-CA 120.684 -0.407 . . . . 0.0 110.054 -179.387 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.503 ' OE2' ' NH2' ' A' ' 26' ' ' ARG . 88.6 tt0 -44.04 -48.45 8.86 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -178.233 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -61.49 -48.53 80.64 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.756 179.365 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.786 ' CD1' HG13 ' A' ' 85' ' ' VAL . 52.3 mt -58.88 -39.31 81.04 Favored 'General case' 0 CA--C 1.514 -0.438 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.528 -179.176 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.447 ' CD1' ' C ' ' A' ' 25' ' ' TYR . 15.6 t80 -58.26 -49.69 76.22 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.09 178.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.503 ' NH2' ' OE2' ' A' ' 22' ' ' GLU . 95.7 mtt180 -62.09 -45.76 92.06 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.449 -0.5 . . . . 0.0 110.192 -179.221 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -62.84 -50.37 71.23 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.863 0.363 . . . . 0.0 110.996 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.511 ' NE2' ' O ' ' A' ' 84' ' ' LYS . 74.9 mt-30 -56.91 -40.09 75.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.816 -178.799 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 47.8 mm-40 -62.49 -40.65 97.36 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.172 178.363 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.53 -20.05 61.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.682 179.673 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 106.59 8.76 32.16 Favored Glycine 0 CA--C 1.522 0.505 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.512 ' CD1' ' OE1' ' A' ' 37' ' ' GLU . 18.9 m-85 -108.91 149.75 28.7 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.184 0.516 . . . . 0.0 110.769 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.696 ' HE ' ' CA ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -88.05 -38.07 15.76 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.78 -179.131 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.4 ' OD2' ' OH ' ' A' ' 86' ' ' TYR . 49.2 p-10 -164.85 174.14 10.93 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.944 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.4 mp0 -45.95 -35.37 4.62 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.369 -178.511 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 39.9 mm -52.08 -49.75 38.01 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-O 120.955 0.407 . . . . 0.0 110.643 -178.024 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.512 ' OE1' ' CD1' ' A' ' 32' ' ' TYR . 3.8 tm-20 -67.92 -41.57 82.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.652 -179.45 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -59.51 -47.13 86.71 Favored 'General case' 0 CA--C 1.511 -0.524 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.313 179.578 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.515 ' O ' ' N ' ' A' ' 43' ' ' GLN . 58.0 mttp -59.66 -41.97 91.78 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 120.411 -0.516 . . . . 0.0 111.064 -179.069 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 96.2 mm-40 -61.59 -42.77 99.34 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.323 -0.551 . . . . 0.0 110.698 -179.418 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.413 HG21 ' CE1' ' A' ' 32' ' ' TYR . 63.2 t -61.77 -44.79 99.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.757 0.313 . . . . 0.0 111.226 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.722 ' O ' HG13 ' A' ' 44' ' ' VAL . 31.0 mmtp -94.41 2.29 55.78 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.599 -179.402 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.515 ' N ' ' O ' ' A' ' 39' ' ' LYS . 99.0 mt-30 45.91 51.13 10.87 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.817 179.37 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.722 HG13 ' O ' ' A' ' 42' ' ' LYS . 33.1 m -130.68 -178.21 2.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.46 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -133.15 20.64 4.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.87 -179.642 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.24 137.69 15.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.689 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 16.5 t -110.83 134.73 52.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.964 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -70.17 124.76 24.92 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.547 ' NE ' ' O ' ' A' ' 54' ' ' GLY . 37.4 mtp180 -142.35 165.08 28.4 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.365 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.484 ' O ' ' N ' ' A' ' 54' ' ' GLY . 78.8 m95 -93.44 141.7 24.26 Favored Pre-proline 0 C--O 1.22 -0.459 0 C-N-CA 120.217 -0.593 . . . . 0.0 111.14 -179.423 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -66.24 -27.16 48.67 Favored 'Trans proline' 0 N--CA 1.496 1.676 0 C-N-CA 122.27 1.98 . . . . 0.0 112.764 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -53.7 -50.52 65.7 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.921 -177.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.548 ' OG1' ' CD2' ' A' ' 55' ' ' TYR . 75.5 p -127.4 -26.9 2.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.438 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.547 ' O ' ' NE ' ' A' ' 49' ' ' ARG . . . 92.79 18.84 39.2 Favored Glycine 0 C--O 1.224 -0.48 0 C-N-CA 120.051 -1.071 . . . . 0.0 111.067 -178.782 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.548 ' CD2' ' OG1' ' A' ' 53' ' ' THR . 24.6 m-85 -82.9 161.46 21.85 Favored 'General case' 0 CA--C 1.516 -0.358 0 C-N-CA 120.268 -0.573 . . . . 0.0 111.149 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.471 ' O ' ' NH1' ' A' ' 26' ' ' ARG . 41.2 t -62.45 122.48 13.32 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.487 -178.534 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -75.18 -49.93 17.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.566 179.413 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -142.62 144.67 32.91 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.178 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.444 HD12 ' HA ' ' A' ' 59' ' ' LEU . 9.0 tp -145.56 127.24 15.22 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.177 -179.341 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -84.58 133.01 34.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.206 -179.437 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 20.2 mtm180 -76.13 173.44 11.31 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.511 0.672 . . . . 0.0 111.083 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 25.6 mmm-85 -70.5 -8.64 52.79 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.073 179.14 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -95.81 5.57 51.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.987 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 73.49 36.77 0.76 Allowed 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.581 -0.282 . . . . 0.0 110.946 179.785 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 23.6 p -118.11 125.97 51.32 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.475 179.381 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -78.04 119.66 21.78 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.399 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 2.1 m-30 -111.67 122.91 49.07 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 121.632 0.73 . . . . 0.0 111.182 179.218 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -84.59 130.75 34.69 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 114.361 -1.29 . . . . 0.0 108.83 179.099 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -111.6 155.45 23.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 123.361 0.413 . . . . 0.0 110.295 -179.063 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.672 HD22 ' HB2' ' A' ' 72' ' ' GLU . 15.3 t-20 -91.39 118.24 30.36 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.413 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.7 pttp -65.83 -20.8 66.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.978 179.339 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.672 ' HB2' HD22 ' A' ' 70' ' ' ASN . 9.0 mm-40 . . . . . 0 C--N 1.323 -0.557 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 65.2 tttm . . . . . 0 C--O 1.239 0.511 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.708 ' O ' HG23 ' A' ' 83' ' ' VAL . 81.0 mm-40 -80.97 -28.81 35.48 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.331 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.511 HG21 ' N ' ' A' ' 17' ' ' TRP . 52.8 t -57.13 -50.7 75.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 C-N-CA 120.21 -0.596 . . . . 0.0 109.441 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 70.6 m80 -64.37 -41.31 96.78 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 120.255 -0.578 . . . . 0.0 110.586 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.7 mmmt -73.25 -26.85 61.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.087 0.47 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.708 HG23 ' O ' ' A' ' 79' ' ' GLU . 63.4 t -82.69 126.87 40.07 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 CA-C-O 121.523 0.678 . . . . 0.0 111.871 -179.391 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.511 ' O ' ' NE2' ' A' ' 28' ' ' GLN . 6.3 ptpp? -105.24 126.21 51.84 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.634 178.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.786 HG13 ' CD1' ' A' ' 24' ' ' LEU . 11.3 t -95.63 120.87 45.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 -178.741 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.4 ' OH ' ' OD2' ' A' ' 34' ' ' ASP . 9.3 p90 -79.35 147.19 32.5 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.416 -179.556 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 4.7 m -125.43 132.49 70.95 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 CA-C-O 121.085 0.469 . . . . 0.0 110.554 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 52.0 p90 . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 117.92 -1.038 . . . . 0.0 110.502 -179.851 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 70.6 m . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.856 0.36 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.3 mp -131.44 133.04 62.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.572 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.0 t -124.29 176.96 6.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.413 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.7 mpt_? -115.76 133.92 55.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.021 0.439 . . . . 0.0 110.956 -179.625 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.428 ' HB3' HG13 ' A' ' 80' ' ' VAL . . . -65.67 154.19 39.58 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.67 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.457 ' C ' HG11 ' A' ' 80' ' ' VAL . 71.6 mmtt -98.38 -38.46 9.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.279 -178.784 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.494 ' N ' HG11 ' A' ' 80' ' ' VAL . 87.2 tttt -151.63 154.06 35.66 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.682 -179.57 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.682 ' N ' HG21 ' A' ' 80' ' ' VAL . 57.4 t90 -49.49 132.8 20.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.826 -179.77 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.09 158.37 32.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.873 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -51.22 -36.49 41.84 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.325 -178.34 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -69.22 -42.68 75.41 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.825 0.345 . . . . 0.0 110.987 179.488 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.489 HD13 ' N ' ' A' ' 21' ' ' ILE . 4.4 mm -70.42 -57.31 8.29 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.367 0 CA-C-N 116.24 -0.436 . . . . 0.0 109.946 -178.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -47.06 -46.61 22.51 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.225 -177.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.403 ' ND2' ' CE1' ' A' ' 27' ' ' PHE . 18.4 t-20 -58.69 -50.03 75.37 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.246 0.546 . . . . 0.0 110.975 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.799 ' CD1' HG13 ' A' ' 85' ' ' VAL . 77.2 mt -57.59 -41.97 82.22 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 119.719 -0.792 . . . . 0.0 110.538 -178.648 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -59.8 -49.48 77.56 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 120.386 -0.526 . . . . 0.0 111.565 178.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.52 ' NH2' ' O ' ' A' ' 70' ' ' ASN . 93.9 mtt180 -62.82 -47.46 83.31 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.648 -0.421 . . . . 0.0 111.227 -178.746 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.403 ' CE1' ' ND2' ' A' ' 23' ' ' ASN . 41.0 m-85 -65.91 -47.56 74.37 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.403 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -56.6 -41.81 77.65 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.175 -179.618 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -62.35 -38.78 90.84 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.271 178.179 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.89 -15.73 63.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.615 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 104.56 1.34 43.46 Favored Glycine 0 CA--C 1.528 0.851 0 N-CA-C 111.436 -0.666 . . . . 0.0 111.436 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.641 ' CE1' HG21 ' A' ' 41' ' ' VAL . 28.3 m-85 -102.23 145.58 29.22 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-O 121.157 0.503 . . . . 0.0 110.662 -179.495 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.42 -35.48 60.97 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.698 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.592 ' OD2' HD12 ' A' ' 36' ' ' ILE . 41.7 p-10 -164.59 174.75 10.5 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.427 179.699 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -53.56 -27.53 26.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.396 -179.124 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.592 HD12 ' OD2' ' A' ' 34' ' ' ASP . 92.1 mt -59.53 -48.54 86.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 C-N-CA 120.481 -0.488 . . . . 0.0 110.986 -179.507 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 50.6 tp10 -66.38 -40.26 89.59 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.847 0.356 . . . . 0.0 110.524 -179.686 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -59.41 -46.97 87.21 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.226 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.548 ' O ' ' N ' ' A' ' 43' ' ' GLN . 97.9 mttt -61.15 -39.09 88.77 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.725 -179.281 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.414 ' O ' ' NE2' ' A' ' 43' ' ' GLN . 91.3 mt-30 -64.09 -42.58 96.86 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.655 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.641 HG21 ' CE1' ' A' ' 32' ' ' TYR . 78.1 t -62.64 -44.32 99.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.303 -179.475 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -95.43 -1.3 51.21 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.36 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.548 ' N ' ' O ' ' A' ' 39' ' ' LYS . 93.6 mm-40 44.46 55.71 5.52 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.354 -0.539 . . . . 0.0 110.718 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.442 HG22 ' HA ' ' A' ' 39' ' ' LYS . 32.6 m -109.4 -168.53 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.3 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -120.48 -24.13 5.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.034 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -154.45 163.31 40.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.61 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 60.9 t -104.08 135.27 42.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.297 -0.411 . . . . 0.0 109.998 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -71.48 131.47 43.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.95 0.405 . . . . 0.0 110.671 -179.651 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.414 ' NE ' ' O ' ' A' ' 54' ' ' GLY . 22.3 mtp180 -142.28 170.15 16.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.484 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.49 ' CD1' ' HB3' ' A' ' 71' ' ' LYS . 88.0 m95 -97.92 143.86 26.99 Favored Pre-proline 0 C--O 1.22 -0.49 0 C-N-CA 120.183 -0.607 . . . . 0.0 111.972 -179.728 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -66.73 -21.19 51.82 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 121.942 1.762 . . . . 0.0 112.194 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -58.4 -54.37 47.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.263 -178.766 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.446 ' OG1' ' CD2' ' A' ' 55' ' ' TYR . 61.0 p -126.29 -21.23 4.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.793 179.79 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 50' ' ' TRP . . . 84.74 23.98 47.74 Favored Glycine 0 N--CA 1.463 0.476 0 C-N-CA 120.468 -0.872 . . . . 0.0 111.541 -179.665 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.446 ' CD2' ' OG1' ' A' ' 53' ' ' THR . 21.8 m-85 -90.83 160.54 15.69 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 120.209 -0.596 . . . . 0.0 110.678 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.436 HG11 HD13 ' A' ' 59' ' ' LEU . 62.0 t -56.59 123.26 7.29 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 CA-C-N 115.087 -0.96 . . . . 0.0 110.385 -178.537 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.417 ' CD ' ' CZ2' ' A' ' 50' ' ' TRP . 23.2 ttpp -73.28 -50.97 19.31 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.593 179.588 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -144.77 149.24 35.17 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.028 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.477 ' HA ' HD12 ' A' ' 59' ' ' LEU . 7.0 tp -146.76 137.45 23.88 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.333 -0.547 . . . . 0.0 110.187 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -88.86 131.1 35.25 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.497 -179.621 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.2 mtm180 -79.02 177.99 8.37 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.423 0.63 . . . . 0.0 111.267 -179.432 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.0 mmt180 -71.51 -11.35 60.82 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.268 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -93.9 10.44 33.29 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.102 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 60.8 m-20 65.66 34.89 7.33 Favored 'General case' 0 N--CA 1.465 0.311 0 O-C-N 123.569 0.543 . . . . 0.0 111.101 -179.65 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 33.9 p -118.98 130.65 55.8 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.697 179.046 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -74.66 125.2 28.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.476 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -115.35 121.33 42.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.163 -179.641 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -82.5 134.11 35.2 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.269 -0.423 . . . . 0.0 109.999 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -110.22 154.55 23.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.076 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.52 ' O ' ' NH2' ' A' ' 26' ' ' ARG . 8.0 t-20 -80.26 117.52 21.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.539 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.49 ' HB3' ' CD1' ' A' ' 50' ' ' TRP . 1.5 pptp? -70.78 -10.78 60.24 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.467 179.74 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 . . . . . 0 CA--C 1.498 -1.042 0 C-N-CA 119.513 -0.875 . . . . 0.0 112.826 -178.188 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 64.8 pttt . . . . . 0 C--O 1.234 0.239 0 CA-C-O 121.132 0.492 . . . . 0.0 110.59 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.757 ' O ' HG23 ' A' ' 83' ' ' VAL . 4.8 tt0 -83.59 -33.61 25.33 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.062 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.682 HG21 ' N ' ' A' ' 17' ' ' TRP . 43.9 t -57.29 -50.08 77.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 C-N-CA 120.038 -0.665 . . . . 0.0 109.646 179.465 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -61.79 -44.2 97.35 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 120.327 -0.549 . . . . 0.0 110.747 179.756 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -71.93 -27.95 63.14 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.962 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.757 HG23 ' O ' ' A' ' 79' ' ' GLU . 55.2 t -77.49 138.44 20.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.136 -179.769 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.2 ptmt -113.01 141.47 46.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.817 179.279 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.799 HG13 ' CD1' ' A' ' 24' ' ' LEU . 39.5 t -108.09 125.53 64.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.465 -179.298 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.539 ' O ' ' CD1' ' A' ' 86' ' ' TYR . 0.7 OUTLIER -89.48 139.64 30.32 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.597 -179.731 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 5.0 m -128.0 128.13 68.63 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 CA-C-O 121.221 0.534 . . . . 0.0 110.799 179.739 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 24.0 p90 . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.44 179.87 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.275 0 N-CA-C 109.479 -1.448 . . . . 0.0 109.479 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 15.6 t 46.96 -132.85 1.17 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.836 0.351 . . . . 0.0 110.578 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 63.7 t-80 -148.83 140.31 23.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.604 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -57.95 175.62 0.19 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.619 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 79.0 mtm -78.31 140.97 38.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.524 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.69 141.79 57.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.442 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 72.9 p -106.15 -21.74 13.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.622 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 85.0 p -90.21 -19.27 24.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.705 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -121.85 131.96 54.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.602 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 90.8 t -117.23 121.82 68.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.348 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -74.62 153.84 87.48 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.859 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -64.49 140.11 67.73 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.655 2.236 . . . . 0.0 112.202 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.0 tptp -80.2 -44.58 19.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.808 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.469 ' C ' HD12 ' A' ' 11' ' ' ILE . 72.9 m -160.62 175.74 12.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.58 -179.754 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.662 HD12 ' N ' ' A' ' 11' ' ' ILE . 4.5 mp -124.33 127.13 72.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.417 179.605 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.2 m -118.85 176.19 5.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.51 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.411 ' N ' ' CD ' ' A' ' 13' ' ' ARG . 1.4 mpt_? -110.0 128.3 55.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.597 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.503 ' HB2' HD12 ' A' ' 21' ' ' ILE . . . -61.48 142.18 57.2 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.21 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -96.36 -42.5 8.1 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-O 120.96 0.409 . . . . 0.0 110.702 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.544 ' HG3' ' N ' ' A' ' 17' ' ' TRP . 0.0 OUTLIER -132.85 -171.55 2.7 Favored 'General case' 0 C--O 1.221 -0.445 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.673 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.654 ' CD2' ' NH1' ' A' ' 73' ' ' ARG . 60.6 t90 -97.05 123.9 40.91 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.763 178.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 21' ' ' ILE . 37.9 t -154.51 154.16 32.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.521 179.645 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 -42.97 -30.64 0.43 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.407 -179.413 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -68.88 -41.37 78.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.713 179.347 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.503 HD12 ' HB2' ' A' ' 14' ' ' ALA . 20.1 mm -77.18 -62.28 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.24 -179.469 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.548 ' OE1' ' CE1' ' A' ' 55' ' ' TYR . 39.5 tt0 -43.45 -46.88 6.95 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 -179.05 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -60.48 -50.8 72.12 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.905 179.224 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.658 ' CD1' HG13 ' A' ' 85' ' ' VAL . 39.4 mt -54.89 -39.18 68.46 Favored 'General case' 0 C--O 1.215 -0.723 0 C-N-CA 121.036 -0.266 . . . . 0.0 110.733 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.405 ' CD2' ' SG ' ' A' ' 75' ' ' CYS . 28.1 t80 -59.07 -49.56 77.4 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.706 0.289 . . . . 0.0 110.492 178.494 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 92.6 mtt180 -61.05 -49.86 75.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.804 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.406 ' CE1' HG21 ' A' ' 56' ' ' VAL . 33.3 m-85 -63.99 -49.86 70.81 Favored 'General case' 0 CA--C 1.523 -0.065 0 CA-C-O 120.903 0.383 . . . . 0.0 110.891 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -53.65 -42.1 67.48 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.304 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.422 ' O ' ' NH2' ' A' ' 61' ' ' ARG . 62.2 mm-40 -59.67 -41.24 90.19 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.845 179.205 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.69 -16.41 64.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.407 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 104.68 7.79 38.56 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.486 -0.646 . . . . 0.0 111.486 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.713 ' CE1' HG21 ' A' ' 41' ' ' VAL . 24.6 m-85 -105.3 146.44 29.34 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 120.993 0.425 . . . . 0.0 110.662 179.519 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.79 -35.43 33.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.378 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 51.5 p-10 -161.81 169.8 20.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.536 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.606 ' CD ' ' H ' ' A' ' 35' ' ' GLU . 10.8 mp0 -48.23 -34.52 10.35 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.322 -179.084 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 48.4 mm -55.01 -49.33 72.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.104 -178.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.405 ' O ' HG23 ' A' ' 41' ' ' VAL . 46.8 tp10 -63.91 -39.05 93.28 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.959 0.409 . . . . 0.0 110.83 179.583 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.627 ' CD1' HD11 ' A' ' 59' ' ' LEU . 31.7 t80 -62.47 -47.41 84.13 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.497 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.548 ' O ' ' N ' ' A' ' 43' ' ' GLN . 98.6 mttt -59.05 -40.97 86.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.105 -178.317 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -61.77 -40.13 94.09 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.859 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.713 HG21 ' CE1' ' A' ' 32' ' ' TYR . 77.4 t -61.24 -45.03 99.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.955 -179.254 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.569 ' O ' HG13 ' A' ' 44' ' ' VAL . 9.3 mmtm -99.63 4.09 45.53 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.94 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.548 ' N ' ' O ' ' A' ' 39' ' ' LYS . 21.3 mp0 46.06 55.41 7.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.945 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.569 HG13 ' O ' ' A' ' 42' ' ' LYS . 29.8 m -126.02 -172.64 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.597 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -135.33 -34.49 0.85 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.9 mmt -104.99 133.9 48.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.122 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.7 t -107.51 137.13 40.21 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.082 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -62.73 119.59 9.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.958 0.409 . . . . 0.0 110.779 -179.453 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 93.8 mtt-85 -140.7 158.57 43.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.672 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.473 ' O ' ' HA2' ' A' ' 54' ' ' GLY . 77.5 m95 -94.91 141.06 22.78 Favored Pre-proline 0 N--CA 1.45 -0.429 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.787 179.603 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.22 -31.48 44.36 Favored 'Trans proline' 0 C--N 1.303 -1.862 0 C-N-CA 122.691 2.261 . . . . 0.0 112.226 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -50.43 -52.33 38.68 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.811 -178.474 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.523 ' OG1' ' CD2' ' A' ' 55' ' ' TYR . 31.3 p -126.62 -33.78 2.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.218 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.473 ' HA2' ' O ' ' A' ' 50' ' ' TRP . . . 100.53 20.79 14.04 Favored Glycine 0 CA--C 1.519 0.308 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.336 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.548 ' CE1' ' OE1' ' A' ' 22' ' ' GLU . 31.4 m-85 -80.58 157.56 26.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.576 0.227 . . . . 0.0 110.578 179.656 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.562 HG11 HD23 ' A' ' 59' ' ' LEU . 40.2 t -67.63 127.98 30.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.864 0.364 . . . . 0.0 110.568 -179.126 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 50.9 tttm -72.29 -44.39 62.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.539 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -156.38 153.17 28.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.569 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.627 HD11 ' CD1' ' A' ' 38' ' ' TYR . 0.1 OUTLIER -146.87 131.14 17.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.951 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.605 ' N ' HD13 ' A' ' 59' ' ' LEU . 11.4 tt0 -78.87 130.01 35.19 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.122 179.711 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.422 ' NH2' ' O ' ' A' ' 29' ' ' GLN . 46.9 mtp180 -78.88 174.76 11.17 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.031 -178.714 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 11.3 ttm180 -67.48 -16.84 64.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 123.836 0.71 . . . . 0.0 110.504 179.237 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -87.06 2.79 48.54 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.592 -178.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 73.59 37.37 0.7 Allowed 'General case' 0 N--CA 1.451 -0.408 0 CA-C-O 120.67 0.272 . . . . 0.0 110.984 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 44.8 p -123.98 133.11 53.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.609 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -77.74 123.38 26.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.504 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -114.83 121.07 42.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.437 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -81.85 135.31 35.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.373 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -110.94 152.42 26.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.758 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.59 HD22 ' HB2' ' A' ' 72' ' ' GLU . 21.6 t-20 -94.82 110.27 22.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.81 179.749 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.41 ' HG3' ' HZ2' ' A' ' 71' ' ' LYS . 6.9 pttp -60.29 -26.19 66.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.188 0.518 . . . . 0.0 110.632 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.831 ' O ' ' O ' ' A' ' 73' ' ' ARG . 13.1 mm-40 -73.88 65.05 1.02 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.492 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.831 ' O ' ' O ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER 34.81 124.3 0.0 OUTLIER 'General case' 0 N--CA 1.441 -0.901 0 CA-C-O 121.066 0.46 . . . . 0.0 110.334 -179.437 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.421 ' O ' ' OE1' ' A' ' 76' ' ' GLU . 37.0 tt0 -124.12 -24.11 4.43 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.206 178.577 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.536 ' O ' ' CZ ' ' A' ' 73' ' ' ARG . 34.2 m -80.51 131.14 35.51 Favored 'General case' 0 C--O 1.212 -0.902 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.393 -179.6 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.421 ' OE1' ' O ' ' A' ' 74' ' ' GLU . 36.6 mp0 -113.57 166.0 11.95 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.634 179.585 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -48.31 -34.64 10.85 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.031 -179.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -63.76 -29.46 70.67 Favored 'General case' 0 C--O 1.242 0.685 0 CA-C-O 121.699 0.761 . . . . 0.0 110.371 179.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.753 ' O ' HG23 ' A' ' 83' ' ' VAL . 0.9 OUTLIER -82.63 -32.14 28.44 Favored 'General case' 0 C--O 1.222 -0.371 0 O-C-N 121.858 -0.526 . . . . 0.0 110.501 179.574 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 54.6 t -54.29 -49.37 64.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 179.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 73.2 m80 -68.0 -40.65 82.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.922 0.391 . . . . 0.0 110.68 -179.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.83 -22.95 58.41 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.149 179.575 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 79' ' ' GLU . 71.7 t -88.34 136.15 23.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.02 0.438 . . . . 0.0 111.349 -178.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 30.6 mtmm -101.11 164.83 11.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.345 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.658 HG13 ' CD1' ' A' ' 24' ' ' LEU . 15.2 t -125.5 127.99 72.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.942 0.401 . . . . 0.0 110.122 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -91.24 137.66 32.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.701 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.43 HG22 ' O ' ' A' ' 10' ' ' SER . 4.3 m -122.2 134.42 65.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.712 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 48.6 p90 . . . . . 0 C--O 1.221 -0.415 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.551 179.803 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.251 0 N-CA-C 109.572 -1.411 . . . . 0.0 109.572 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 42.6 t -139.09 125.06 19.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.748 0.308 . . . . 0.0 110.602 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 44.7 m80 -128.42 119.82 25.71 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.798 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 44.4 mtt -140.26 132.72 28.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.581 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.6 mmm -85.8 135.21 33.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.474 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.44 140.9 58.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.599 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.422 ' C ' ' N ' ' A' ' 5' ' ' ASP . 70.7 p -76.5 -70.84 0.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.57 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 47.6 m 48.95 15.83 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.413 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.422 ' N ' ' C ' ' A' ' 3' ' ' THR . 97.3 m-20 -72.88 150.23 42.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.639 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 86.4 t -98.77 118.6 45.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.276 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -117.48 149.28 44.52 Favored Pre-proline 0 CA--C 1.531 0.22 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.59 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -66.09 149.04 86.03 Favored 'Trans proline' 0 C--N 1.308 -1.576 0 C-N-CA 122.737 2.291 . . . . 0.0 112.319 179.569 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.447 ' O ' ' OG ' ' A' ' 10' ' ' SER . 7.6 mtmp? -97.54 -29.04 13.68 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.639 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.447 ' OG ' ' O ' ' A' ' 9' ' ' LYS . 74.9 m -169.69 177.82 4.36 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.543 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.7 mp -137.44 134.09 46.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.677 179.356 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.3 t -120.38 177.21 5.12 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.505 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -114.33 131.26 56.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.093 0.473 . . . . 0.0 110.536 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.553 ' HB3' HG13 ' A' ' 80' ' ' VAL . . . -64.79 153.12 40.88 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.73 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.535 ' C ' HG11 ' A' ' 80' ' ' VAL . 3.9 mptt -95.44 -40.33 9.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.299 -179.424 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -146.22 149.29 33.63 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.676 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.712 ' N ' HG21 ' A' ' 80' ' ' VAL . 53.3 t90 -53.73 139.2 33.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.992 -179.257 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.1 t -165.22 160.76 18.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.294 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -46.77 -33.31 4.28 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.539 -179.225 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.467 ' O ' HD23 ' A' ' 24' ' ' LEU . 81.2 mm-40 -67.33 -45.89 75.07 Favored 'General case' 0 C--O 1.219 -0.545 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.67 179.45 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.577 HD13 ' N ' ' A' ' 21' ' ' ILE . 3.2 mm -66.44 -56.91 12.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 -178.633 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.461 ' CD ' ' N ' ' A' ' 23' ' ' ASN . 1.8 tm-20 -39.33 -47.86 1.79 Allowed 'General case' 0 CA--C 1.513 -0.456 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.941 -179.395 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.553 ' ND2' ' CE1' ' A' ' 27' ' ' PHE . 15.4 t-20 -59.86 -50.11 75.09 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.328 0.585 . . . . 0.0 111.084 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.467 HD23 ' O ' ' A' ' 20' ' ' GLU . 3.8 mm? -53.99 -48.75 70.07 Favored 'General case' 0 C--O 1.213 -0.828 0 C-N-CA 120.474 -0.49 . . . . 0.0 110.86 -178.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -59.24 -48.89 79.93 Favored 'General case' 0 C--N 1.317 -0.845 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.306 179.564 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.522 ' NH2' ' O ' ' A' ' 70' ' ' ASN . 88.7 mtt180 -60.57 -48.38 82.05 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.644 -0.422 . . . . 0.0 111.146 -179.117 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.553 ' CE1' ' ND2' ' A' ' 23' ' ' ASN . 38.8 m-85 -66.91 -44.36 80.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.018 0.437 . . . . 0.0 110.426 179.586 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -55.85 -41.35 74.19 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.582 179.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -64.1 -37.76 88.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.203 178.439 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.671 ' HB2' HD13 ' A' ' 59' ' ' LEU . . . -66.93 -16.79 64.56 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.429 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 102.83 8.72 41.83 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.662 ' CE1' HG21 ' A' ' 41' ' ' VAL . 27.8 m-85 -109.68 146.94 33.99 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-O 121.009 0.433 . . . . 0.0 110.869 -179.718 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.407 ' H ' ' HD2' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -75.28 -35.67 61.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.245 179.608 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.536 ' CG ' ' N ' ' A' ' 35' ' ' GLU . 5.3 t70 -163.29 171.12 16.61 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.385 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.536 ' N ' ' CG ' ' A' ' 34' ' ' ASP . 8.7 pt-20 -50.63 -28.48 8.9 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.554 -179.633 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 83.6 mt -59.01 -48.98 84.88 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 C-N-CA 120.713 -0.395 . . . . 0.0 111.14 -179.365 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -66.45 -39.38 88.84 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.664 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.464 ' CD1' HD21 ' A' ' 59' ' ' LEU . 36.2 t80 -59.47 -47.57 84.98 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.389 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.463 ' O ' ' N ' ' A' ' 43' ' ' GLN . 44.2 mtmt -60.56 -40.01 90.08 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.97 -179.607 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -62.92 -41.66 99.54 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.862 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.662 HG21 ' CE1' ' A' ' 32' ' ' TYR . 78.7 t -63.7 -44.62 98.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.106 -179.561 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.518 ' O ' HG13 ' A' ' 44' ' ' VAL . 25.2 mmtp -91.57 -1.13 57.6 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.782 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 39' ' ' LYS . 97.9 mt-30 50.6 48.63 22.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.77 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.518 HG13 ' O ' ' A' ' 42' ' ' LYS . 28.2 m -127.59 -174.24 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.399 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -141.42 23.44 2.15 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.778 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 4.4 mtp -158.58 139.82 13.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.816 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.0 t -111.94 135.26 51.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -67.29 118.58 10.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.476 -179.329 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 31.3 mtt180 -137.04 166.08 24.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.573 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.509 ' O ' ' N ' ' A' ' 54' ' ' GLY . 71.8 m95 -95.85 140.61 22.38 Favored Pre-proline 0 C--O 1.218 -0.553 0 C-N-CA 120.288 -0.565 . . . . 0.0 111.101 -179.569 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -65.71 -30.52 50.44 Favored 'Trans proline' 0 C--N 1.302 -1.914 0 C-N-CA 122.446 2.098 . . . . 0.0 112.697 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.492 ' OE1' ' CE ' ' A' ' 71' ' ' LYS . 96.3 mt-10 -52.59 -49.68 64.56 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.681 -178.221 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.514 ' OG1' ' CD2' ' A' ' 55' ' ' TYR . 71.3 p -125.2 -31.04 3.11 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.961 -0.296 . . . . 0.0 111.036 179.557 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 50' ' ' TRP . . . 94.95 18.87 32.89 Favored Glycine 0 N--CA 1.464 0.534 0 C-N-CA 120.669 -0.776 . . . . 0.0 111.335 -179.67 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.514 ' CD2' ' OG1' ' A' ' 53' ' ' THR . 25.0 m-85 -81.4 158.36 24.66 Favored 'General case' 0 CA--C 1.515 -0.373 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.981 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.515 ' O ' ' NH1' ' A' ' 26' ' ' ARG . 87.2 t -61.59 122.48 12.32 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.681 -178.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 44.5 tttm -72.96 -45.38 58.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.556 179.525 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -151.79 153.04 33.5 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.596 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.671 HD13 ' HB2' ' A' ' 30' ' ' ALA . 0.4 OUTLIER -146.07 138.04 25.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.779 179.577 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.611 ' H ' HD23 ' A' ' 59' ' ' LEU . 22.1 tt0 -85.21 132.64 34.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.952 0.406 . . . . 0.0 110.494 179.52 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.1 mmm180 -76.42 166.32 23.58 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.789 -179.477 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 10.1 mtt-85 -66.26 -7.1 16.39 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.235 179.492 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.438 ' O ' ' CB ' ' A' ' 64' ' ' ASN . 98.0 m-20 -101.87 8.35 41.27 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.17 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.438 ' CB ' ' O ' ' A' ' 63' ' ' ASP . 2.1 m-20 79.76 -2.95 2.06 Favored 'General case' 0 C--O 1.233 0.228 0 O-C-N 123.284 0.365 . . . . 0.0 110.679 179.506 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 24.3 p -80.86 126.68 31.64 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.57 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -71.97 131.14 42.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.528 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -119.93 116.64 26.2 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.01 0.433 . . . . 0.0 110.259 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -82.42 139.34 34.07 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.485 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -114.22 150.95 33.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.982 179.413 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.522 ' O ' ' NH2' ' A' ' 26' ' ' ARG . 5.0 p-10 -98.17 124.2 42.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.596 179.595 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.492 ' CE ' ' OE1' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -64.3 -17.36 63.58 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.379 0.609 . . . . 0.0 110.627 179.423 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 73' ' ' ARG . 94.2 mt-10 -81.84 57.71 3.55 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -34.28 130.98 0.33 Allowed 'General case' 0 N--CA 1.456 -0.125 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.305 -179.371 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -130.89 39.46 3.59 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 121.469 0.652 . . . . 0.0 109.758 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 6.1 t -88.97 146.34 24.95 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.238 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -130.26 174.02 10.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.575 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -50.81 -23.61 2.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.299 -179.291 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.9 mmmt -63.25 -38.05 89.66 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.678 179.107 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 83' ' ' VAL . 5.5 mm-40 -80.41 -30.94 37.72 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.968 -0.293 . . . . 0.0 110.478 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.712 HG21 ' N ' ' A' ' 17' ' ' TRP . 55.5 t -58.35 -41.83 82.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 179.203 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 77.9 m80 -69.34 -40.99 77.21 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.436 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 30.9 mttm -76.21 -27.6 56.9 Favored 'General case' 0 CA--C 1.528 0.127 0 CA-C-O 120.863 0.363 . . . . 0.0 110.798 179.377 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.476 ' N ' ' O ' ' A' ' 79' ' ' GLU . 73.8 t -88.45 135.61 25.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.786 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 14.0 mttp -113.08 157.55 21.45 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.295 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 60.4 t -119.17 122.51 69.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.43 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.585 ' O ' ' CD1' ' A' ' 86' ' ' TYR . 0.2 OUTLIER -78.83 148.56 32.8 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.675 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.0 m -128.62 125.82 64.19 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.461 179.588 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 22.0 p90 . . . . . 0 C--O 1.221 -0.412 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.605 179.783 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' -3' ' ' GLY . . . . . 0.535 ' O ' ' ND1' ' A' ' -1' ' ' HIS . . . . . . . . 0 N--CA 1.49 2.261 0 N-CA-C 109.479 -1.448 . . . . 0.0 109.479 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 70.56 2.31 4.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.802 0.334 . . . . 0.0 110.555 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' -1' ' ' HIS . . . . . 0.535 ' ND1' ' O ' ' A' ' -3' ' ' GLY . 79.8 m80 -102.68 9.26 39.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.501 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -171.99 100.85 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.526 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.1 mmm -125.67 143.81 50.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.505 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.34 148.24 51.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.57 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 62.8 p -130.55 163.56 26.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.479 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 98.5 p -137.98 153.13 49.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.37 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -150.17 110.8 4.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.648 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 88.9 t -79.2 121.41 32.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.652 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.446 ' CD ' ' N ' ' A' ' 7' ' ' LYS . 3.8 mptp? -79.55 154.18 76.25 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.733 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -65.45 157.81 56.16 Favored 'Trans proline' 0 C--N 1.307 -1.627 0 C-N-CA 122.605 2.203 . . . . 0.0 112.228 179.25 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.76 -39.76 9.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.083 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 55.6 m -160.48 167.37 27.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.632 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.6 mp -131.57 133.58 61.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.414 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.6 t -123.91 178.77 5.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.547 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -116.7 131.14 57.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.603 179.761 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.459 ' HB2' HD12 ' A' ' 21' ' ' ILE . . . -64.57 150.22 47.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.724 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt -92.63 -39.85 11.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.383 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.0 tttp -135.06 -172.14 2.98 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.736 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.492 ' CD1' ' SG ' ' A' ' 75' ' ' CYS . 63.2 t90 -96.37 124.52 40.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.704 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.479 ' O ' ' N ' ' A' ' 21' ' ' ILE . 52.8 m -148.78 152.6 36.82 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.677 179.488 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -42.74 -26.33 0.12 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.969 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.419 ' N ' ' C ' ' A' ' 18' ' ' SER . 98.1 mt-10 -69.86 -40.89 75.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.472 179.317 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.479 ' N ' ' O ' ' A' ' 18' ' ' SER . 6.8 mm -71.85 -59.26 3.59 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.37 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.067 -179.57 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.536 ' OE1' ' N ' ' A' ' 23' ' ' ASN . 3.1 tm-20 -45.1 -47.18 12.06 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.199 -178.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.536 ' N ' ' OE1' ' A' ' 22' ' ' GLU . 18.5 t-20 -60.0 -51.36 69.98 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.284 -179.702 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.801 ' CD1' HG13 ' A' ' 85' ' ' VAL . 75.9 mt -56.87 -40.04 75.45 Favored 'General case' 0 CA--C 1.51 -0.566 0 C-N-CA 120.332 -0.547 . . . . 0.0 110.488 -178.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -60.98 -49.11 78.78 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.561 178.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.407 ' NH2' ' O ' ' A' ' 70' ' ' ASN . 93.5 mtt180 -60.95 -47.51 86.12 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.955 -179.281 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -65.43 -47.18 77.09 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.486 179.513 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -55.7 -40.42 72.36 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.819 -179.692 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -60.8 -40.0 91.03 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.866 0.365 . . . . 0.0 110.024 178.614 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.86 -17.32 64.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.347 179.572 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 104.25 6.68 41.71 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.653 ' CE1' HG21 ' A' ' 41' ' ' VAL . 28.6 m-85 -104.91 146.18 29.38 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 120.89 0.376 . . . . 0.0 111.135 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.8 -35.24 57.76 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.453 179.555 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -164.79 172.15 13.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.535 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -49.98 -31.34 12.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.627 -178.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 88.7 mt -56.97 -49.55 78.89 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 C-N-CA 120.548 -0.461 . . . . 0.0 111.007 -178.674 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -64.84 -39.84 94.21 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.994 0.426 . . . . 0.0 110.444 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.587 ' CD1' HD11 ' A' ' 59' ' ' LEU . 34.4 t80 -59.93 -45.88 91.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.084 179.58 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.567 ' O ' ' N ' ' A' ' 43' ' ' GLN . 60.4 mttp -58.72 -39.72 81.64 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.031 -179.162 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.536 ' O ' ' NE2' ' A' ' 43' ' ' GLN . 62.9 tt0 -60.88 -43.21 98.75 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.55 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.653 HG21 ' CE1' ' A' ' 32' ' ' TYR . 79.7 t -62.1 -43.71 98.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.121 -179.371 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.57 ' O ' HG13 ' A' ' 44' ' ' VAL . 31.7 mmtp -95.15 -0.63 53.14 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.763 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.567 ' N ' ' O ' ' A' ' 39' ' ' LYS . 83.0 mm-40 48.33 52.08 14.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.943 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.57 HG13 ' O ' ' A' ' 42' ' ' LYS . 31.5 m -127.38 -175.17 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.532 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -137.21 26.6 2.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.957 -179.347 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 19.5 ptm -162.45 152.23 16.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.773 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 15.9 t -125.07 134.52 66.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.012 179.6 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -60.05 129.23 40.76 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.672 -179.381 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -144.61 157.28 44.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.992 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.4 ' HE1' ' HA ' ' A' ' 57' ' ' LYS . 69.8 m95 -95.81 141.45 23.19 Favored Pre-proline 0 C--O 1.22 -0.475 0 C-N-CA 120.046 -0.662 . . . . 0.0 111.24 -179.786 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -65.83 -27.84 51.37 Favored 'Trans proline' 0 C--N 1.302 -1.872 0 C-N-CA 122.37 2.047 . . . . 0.0 112.557 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -53.46 -52.94 57.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.705 -178.403 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.481 ' OG1' ' CD2' ' A' ' 55' ' ' TYR . 30.3 p -127.2 -31.99 2.52 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.526 -0.307 . . . . 0.0 110.974 179.721 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 99.84 21.28 14.38 Favored Glycine 0 N--CA 1.464 0.541 0 C-N-CA 120.578 -0.82 . . . . 0.0 111.279 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.481 ' CD2' ' OG1' ' A' ' 53' ' ' THR . 28.6 m-85 -81.17 155.21 26.3 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.552 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 94.2 t -61.69 127.29 21.25 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.157 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.495 -179.383 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.4 ' HA ' ' HE1' ' A' ' 50' ' ' TRP . 50.5 tttm -73.65 -47.16 42.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.872 179.607 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -154.38 151.64 29.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.709 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.607 HD13 ' N ' ' A' ' 60' ' ' GLN . 0.1 OUTLIER -147.28 130.46 16.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.82 179.387 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.607 ' N ' HD13 ' A' ' 59' ' ' LEU . 33.5 tt0 -78.34 135.07 37.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.003 0.43 . . . . 0.0 110.671 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -76.82 171.68 14.34 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.959 -179.226 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.4 -6.66 31.48 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.249 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -100.15 10.64 40.94 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.087 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 69.81 37.98 1.72 Allowed 'General case' 0 N--CA 1.455 -0.184 0 CA-C-O 120.587 0.232 . . . . 0.0 111.135 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 35.8 p -120.64 128.78 53.32 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.395 179.383 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -75.46 124.09 26.56 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.798 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -118.15 123.98 46.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.3 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -92.94 132.7 36.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.485 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -105.33 155.67 18.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.913 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.407 ' O ' ' NH2' ' A' ' 26' ' ' ARG . 2.7 p30 -97.05 126.91 42.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.349 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.6 pttt -69.07 -21.51 64.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.376 0.608 . . . . 0.0 110.668 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 73' ' ' ARG . 97.9 mt-10 -75.59 56.86 0.92 Allowed 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.158 -179.564 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.495 ' HE ' ' HB2' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -35.7 133.77 0.38 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.05 -179.497 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -139.74 40.67 2.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.115 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.494 ' SG ' ' N ' ' A' ' 76' ' ' GLU . 0.0 OUTLIER -88.32 152.11 22.16 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.084 179.529 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.494 ' N ' ' SG ' ' A' ' 75' ' ' CYS . 97.9 mt-10 -133.09 174.34 10.47 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.621 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.435 ' OD2' ' NE2' ' A' ' 81' ' ' HIS . 30.2 t70 -46.04 -22.68 0.23 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.37 -179.737 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.33 -36.82 85.21 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.019 178.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.718 ' O ' HG23 ' A' ' 83' ' ' VAL . 8.3 mm-40 -80.56 -35.86 33.8 Favored 'General case' 0 C--O 1.218 -0.557 0 CA-C-O 121.204 0.526 . . . . 0.0 110.742 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 89.7 t -59.26 -42.23 86.46 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 C-N-CA 120.145 -0.622 . . . . 0.0 110.3 -179.589 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.435 ' NE2' ' OD2' ' A' ' 77' ' ' ASP . 77.7 m-70 -70.37 -42.34 71.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.971 -0.558 . . . . 0.0 112.409 -178.472 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.82 -19.15 52.78 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.33 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.718 HG23 ' O ' ' A' ' 79' ' ' GLU . 59.7 t -83.97 135.68 24.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.112 179.565 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 58.2 pttt -107.55 156.43 19.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.223 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.801 HG13 ' CD1' ' A' ' 24' ' ' LEU . 20.7 t -125.97 125.09 67.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.88 0.371 . . . . 0.0 110.147 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.574 ' O ' ' CD1' ' A' ' 86' ' ' TYR . 0.3 OUTLIER -90.27 145.58 24.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.774 -179.812 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.2 m -129.37 124.74 60.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.975 0.417 . . . . 0.0 110.759 179.466 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 51.8 p90 . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.951 -1.023 . . . . 0.0 110.417 179.828 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.39 0 N-CA-C 109.427 -1.469 . . . . 0.0 109.427 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 42.3 t -122.72 94.67 4.35 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.888 0.375 . . . . 0.0 110.546 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 60.3 t-80 -60.94 -45.17 95.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.54 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 1.2 ttt -160.15 97.56 1.26 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.545 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.2 tpt -124.43 125.94 45.1 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.388 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -73.12 152.26 41.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.675 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 65.03 21.51 12.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.697 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.03 -41.44 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.49 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -84.31 110.49 18.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.545 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 86.8 t -105.48 128.26 59.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.342 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.6 pttp -99.75 150.59 36.95 Favored Pre-proline 0 N--CA 1.451 -0.381 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.745 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -67.89 162.65 38.77 Favored 'Trans proline' 0 C--N 1.307 -1.607 0 C-N-CA 122.881 2.387 . . . . 0.0 112.449 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.6 mmtp -102.59 -35.39 8.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.48 -179.573 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 74.7 m -157.73 163.43 38.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.679 179.678 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.4 mp -129.06 133.89 65.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.734 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.2 t -125.39 178.25 5.72 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.528 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.3 mmt180 -117.63 133.05 56.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.64 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.521 ' HB2' HD12 ' A' ' 21' ' ' ILE . . . -67.09 148.79 51.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.656 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.3 mtpp -117.93 14.26 14.15 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.504 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.631 ' N ' HG11 ' A' ' 80' ' ' VAL . 20.3 ttmt -169.53 165.76 10.27 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.761 179.19 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 59.3 t90 -95.66 123.45 39.22 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.838 0.351 . . . . 0.0 111.341 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.8 m -154.18 155.62 35.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.65 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -44.12 -28.04 0.45 Allowed 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -69.75 -45.62 67.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.939 0.4 . . . . 0.0 110.719 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.521 HD12 ' HB2' ' A' ' 14' ' ' ALA . 21.3 mm -74.38 -61.91 1.52 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.275 0 C-N-CA 120.496 -0.481 . . . . 0.0 109.967 -179.072 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.501 ' CD ' ' NE ' ' A' ' 73' ' ' ARG . 31.6 tp10 -44.59 -47.54 10.34 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-O 120.926 0.393 . . . . 0.0 110.178 -178.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -56.71 -49.64 74.55 Favored 'General case' 0 C--N 1.317 -0.806 0 C-N-CA 120.412 -0.515 . . . . 0.0 110.691 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.664 ' CD1' HG13 ' A' ' 85' ' ' VAL . 47.3 mt -54.58 -39.56 67.91 Favored 'General case' 0 C--O 1.212 -0.885 0 C-N-CA 120.561 -0.455 . . . . 0.0 110.564 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 78.1 t80 -61.31 -47.76 84.44 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 120.716 0.293 . . . . 0.0 110.394 178.13 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.495 ' O ' ' HG3' ' A' ' 29' ' ' GLN . 66.6 mtt180 -60.58 -48.5 81.5 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-O 121.238 0.542 . . . . 0.0 110.46 -179.026 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.504 ' CD2' HD21 ' A' ' 59' ' ' LEU . 40.4 m-85 -67.74 -45.19 75.72 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.187 0.518 . . . . 0.0 110.714 179.472 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -57.61 -46.38 84.16 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.405 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.495 ' HG3' ' O ' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -65.22 -20.6 66.51 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.836 0.35 . . . . 0.0 110.74 -179.837 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.66 -12.58 53.62 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.104 -179.577 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 101.67 0.81 52.77 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.421 -0.672 . . . . 0.0 111.421 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.509 ' CD2' ' OE2' ' A' ' 37' ' ' GLU . 23.9 m-85 -103.49 147.26 27.37 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 120.971 0.415 . . . . 0.0 110.326 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.44 -37.84 42.71 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.937 179.115 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.59 ' OD2' HD12 ' A' ' 36' ' ' ILE . 26.3 p-10 -163.3 171.45 16.12 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.5 179.449 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -48.15 -29.91 4.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.515 -179.521 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.59 HD12 ' OD2' ' A' ' 34' ' ' ASP . 93.6 mt -56.45 -50.08 74.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 C-N-CA 120.627 -0.429 . . . . 0.0 111.095 -178.38 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.509 ' OE2' ' CD2' ' A' ' 32' ' ' TYR . 10.6 tt0 -65.03 -39.09 92.85 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.99 0.424 . . . . 0.0 110.639 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -60.51 -45.21 94.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.886 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.555 ' O ' ' N ' ' A' ' 43' ' ' GLN . 2.9 mtpm? -61.52 -39.81 92.36 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.08 -179.341 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -60.52 -46.28 90.72 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.743 -0.383 . . . . 0.0 111.188 -179.274 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 51.5 t -64.25 -41.26 91.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.436 179.318 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.562 ' O ' HG13 ' A' ' 44' ' ' VAL . 19.4 mmtp -89.27 -5.09 57.87 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.102 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.555 ' N ' ' O ' ' A' ' 39' ' ' LYS . 66.6 mt-30 50.26 48.29 22.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.774 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.562 HG13 ' O ' ' A' ' 42' ' ' LYS . 28.6 m -128.92 -173.92 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.51 -179.699 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -139.46 18.81 2.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.728 -179.64 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.92 151.98 24.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.647 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 17.1 t -124.5 135.53 63.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.09 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -66.76 131.23 45.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.746 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 55.0 mtt180 -140.97 167.13 22.92 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.568 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.455 ' O ' ' N ' ' A' ' 54' ' ' GLY . 70.2 m95 -96.95 139.69 21.69 Favored Pre-proline 0 C--O 1.219 -0.501 0 C-N-CA 120.373 -0.531 . . . . 0.0 111.133 -179.655 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -65.06 -28.37 57.23 Favored 'Trans proline' 0 C--N 1.302 -1.904 0 C-N-CA 122.68 2.254 . . . . 0.0 112.393 -179.584 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -51.22 -52.92 40.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.746 -178.447 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.539 ' OG1' ' CD2' ' A' ' 55' ' ' TYR . 33.7 p -126.9 -28.64 2.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.842 0.353 . . . . 0.0 110.883 179.425 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 50' ' ' TRP . . . 94.61 23.49 21.06 Favored Glycine 0 N--CA 1.462 0.383 0 C-N-CA 120.666 -0.778 . . . . 0.0 111.326 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.539 ' CD2' ' OG1' ' A' ' 53' ' ' THR . 24.9 m-85 -80.58 161.55 24.7 Favored 'General case' 0 CA--C 1.516 -0.353 0 C-N-CA 121.061 -0.256 . . . . 0.0 110.836 179.747 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.434 HG11 HD13 ' A' ' 59' ' ' LEU . 89.5 t -60.38 124.62 15.08 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.231 -179.343 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 47.4 tttm -77.95 -48.93 15.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.134 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 58.4 pttt -142.72 144.87 32.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.244 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.504 HD21 ' CD2' ' A' ' 27' ' ' PHE . 6.1 tp -146.87 122.23 10.29 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.097 0.475 . . . . 0.0 110.667 179.461 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -80.54 134.07 35.89 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.362 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.7 mtm180 -74.84 169.57 17.65 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.746 -178.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 -69.39 -5.99 27.16 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.29 178.688 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -100.19 11.49 39.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.784 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 39.7 m-20 66.13 36.69 5.49 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 123.476 0.485 . . . . 0.0 111.126 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 20.0 p -117.06 126.44 52.86 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.242 178.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -70.03 122.1 18.72 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.633 -179.425 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -123.53 113.14 18.33 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.024 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -82.94 137.81 34.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.769 -179.52 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.461 ' OH ' ' CG ' ' A' ' 29' ' ' GLN . 45.6 m-85 -106.03 153.82 21.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.382 179.337 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -97.11 137.31 36.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.797 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.7 pttm -78.67 -26.5 45.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.312 0.577 . . . . 0.0 110.524 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.453 ' O ' ' C ' ' A' ' 73' ' ' ARG . 78.4 mm-40 -72.54 52.85 0.29 Allowed 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 179.34 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.501 ' NE ' ' CD ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -30.31 128.72 0.12 Allowed 'General case' 0 C--N 1.333 -0.144 0 O-C-N 123.742 0.651 . . . . 0.0 111.712 -179.672 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -126.34 37.13 4.38 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 33.9 t -86.18 142.22 28.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.524 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -128.08 173.22 10.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.497 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -50.34 -23.44 2.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.28 -179.264 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -62.35 -36.25 81.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.954 0.407 . . . . 0.0 110.815 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.62 ' O ' HG23 ' A' ' 83' ' ' VAL . 6.9 mt-10 -82.99 -31.83 27.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.955 0.407 . . . . 0.0 110.442 179.748 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.631 HG11 ' N ' ' A' ' 16' ' ' LYS . 58.6 t -56.27 -47.68 80.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 C-N-CA 120.433 -0.507 . . . . 0.0 110.234 -179.562 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 60.4 t-80 -71.11 -41.55 70.41 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.045 -179.122 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.91 -25.29 63.61 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.992 179.719 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 79' ' ' GLU . 77.2 t -86.15 137.28 21.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.644 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 46.8 pttt -106.82 159.3 16.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.315 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.664 HG13 ' CD1' ' A' ' 24' ' ' LEU . 2.6 t -125.3 112.82 32.71 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.345 179.432 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.439 ' OH ' ' OD2' ' A' ' 34' ' ' ASP . 3.2 p90 -82.02 141.74 32.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.362 -179.702 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.7 m -127.58 122.85 60.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 121.136 0.493 . . . . 0.0 110.728 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 46.9 p90 . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.936 -1.03 . . . . 0.0 110.47 179.836 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.395 0 N-CA-C 109.424 -1.47 . . . . 0.0 109.424 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 75.4 m -60.99 -39.93 91.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.87 0.367 . . . . 0.0 110.456 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 61.8 t-80 -88.53 114.98 25.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.522 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -156.34 51.16 0.52 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.678 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.9 ptm -152.5 148.81 27.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.733 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -77.1 139.91 40.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.527 179.523 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 66.9 p -105.44 -12.09 16.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.538 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 73.1 m -75.78 149.02 38.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.702 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 36.1 t0 -99.81 176.02 5.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.543 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 84.4 t -104.85 119.43 53.82 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.382 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 58.8 pttt -89.53 149.88 43.28 Favored Pre-proline 0 N--CA 1.451 -0.396 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.862 -179.683 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -67.67 158.53 56.78 Favored 'Trans proline' 0 N--CA 1.494 1.519 0 C-N-CA 122.719 2.279 . . . . 0.0 112.333 179.239 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.9 mmmt -92.7 -42.31 9.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.806 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 70.0 m -157.24 163.89 38.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.664 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.5 mp -129.0 131.12 68.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.591 179.508 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 44.0 t -119.08 176.17 5.43 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.446 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -111.33 129.83 55.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.709 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.52 144.72 53.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.414 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.579 ' C ' HG11 ' A' ' 80' ' ' VAL . 6.4 mptt -99.85 -41.68 7.14 Favored 'General case' 0 CA--C 1.523 -0.094 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.846 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.1 tttp -132.27 -173.7 3.23 Favored 'General case' 0 C--O 1.227 -0.107 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.011 179.713 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.654 ' CE2' ' NE ' ' A' ' 73' ' ' ARG . 35.1 t90 -98.25 130.38 44.96 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.899 179.733 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.403 ' O ' ' N ' ' A' ' 21' ' ' ILE . 83.5 p -160.74 159.57 30.29 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.286 178.73 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -43.07 -31.45 0.55 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.537 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -69.26 -43.6 73.61 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.837 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.403 ' N ' ' O ' ' A' ' 18' ' ' SER . 11.8 mm -77.49 -61.43 1.71 Allowed 'Isoleucine or valine' 0 CA--C 1.519 -0.227 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.274 -179.538 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.435 ' HB2' ' NE1' ' A' ' 17' ' ' TRP . 88.3 tt0 -43.75 -46.33 7.58 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-O 121.279 0.561 . . . . 0.0 109.943 -178.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -59.75 -49.36 78.03 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.67 179.092 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.784 ' CD1' HG13 ' A' ' 85' ' ' VAL . 23.9 mt -55.16 -39.19 69.23 Favored 'General case' 0 C--O 1.219 -0.545 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.178 -179.336 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -60.17 -48.2 82.72 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.402 178.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.528 ' NH2' ' O ' ' A' ' 70' ' ' ASN . 94.1 mtt180 -60.82 -49.45 77.44 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.547 -179.125 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.482 ' CD2' HD21 ' A' ' 59' ' ' LEU . 30.7 m-85 -64.62 -47.43 78.58 Favored 'General case' 0 N--CA 1.462 0.173 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.728 179.629 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.427 ' NE2' ' O ' ' A' ' 84' ' ' LYS . 62.7 mt-30 -54.6 -42.48 71.17 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 -179.544 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -60.6 -38.73 85.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.36 178.546 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.22 -19.07 64.72 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.3 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.474 ' O ' ' CZ ' ' A' ' 62' ' ' ARG . . . 105.84 8.88 33.69 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 111.316 -0.714 . . . . 0.0 111.316 -179.592 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.704 ' CE1' HG21 ' A' ' 41' ' ' VAL . 23.5 m-85 -110.8 146.8 35.76 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 121.086 0.47 . . . . 0.0 110.819 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.69 -34.65 45.99 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.496 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.426 ' OD2' ' N ' ' A' ' 35' ' ' GLU . 17.7 t70 -165.46 175.13 9.3 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.669 -179.734 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.526 ' OE2' ' NH2' ' A' ' 49' ' ' ARG . 98.0 mt-10 -48.99 -36.83 18.54 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.167 -178.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 18.7 mm -49.32 -59.22 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.121 -179.545 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 48.4 tp10 -60.54 -39.27 87.28 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.823 0.344 . . . . 0.0 110.74 -178.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -59.87 -46.02 90.65 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.231 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.52 ' O ' ' N ' ' A' ' 43' ' ' GLN . 62.9 mttm -60.11 -41.11 91.87 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.651 -0.25 . . . . 0.0 110.933 -179.215 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 -60.44 -43.68 96.56 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.793 0.33 . . . . 0.0 110.595 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.704 HG21 ' CE1' ' A' ' 32' ' ' TYR . 70.2 t -61.54 -43.96 97.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.949 -179.494 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.682 ' O ' HG13 ' A' ' 44' ' ' VAL . 28.5 mmtp -93.75 1.0 56.63 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.809 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.52 ' N ' ' O ' ' A' ' 39' ' ' LYS . 95.7 mt-30 46.9 50.42 13.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.77 179.69 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.682 HG13 ' O ' ' A' ' 42' ' ' LYS . 26.7 m -129.74 -173.0 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.568 -179.614 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.516 ' C ' ' NZ ' ' A' ' 39' ' ' LYS . . . -143.76 30.14 1.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.738 -179.675 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.8 mtt -161.94 127.4 3.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 43.6 t -105.21 130.42 56.44 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -60.42 127.68 32.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.965 0.412 . . . . 0.0 110.624 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.526 ' NH2' ' OE2' ' A' ' 35' ' ' GLU . 74.3 mtt180 -144.08 159.29 42.87 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.075 -179.619 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.492 ' O ' ' N ' ' A' ' 54' ' ' GLY . 70.6 m95 -91.04 138.26 26.1 Favored Pre-proline 0 CA--C 1.535 0.384 0 C-N-CA 119.982 -0.687 . . . . 0.0 111.136 -179.621 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -63.8 -32.78 66.84 Favored 'Trans proline' 0 C--N 1.303 -1.855 0 C-N-CA 122.492 2.128 . . . . 0.0 112.923 -178.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.676 ' CD ' ' HZ3' ' A' ' 71' ' ' LYS . 47.0 mt-10 -52.33 -48.19 65.59 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.824 -178.532 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -126.09 -37.93 2.21 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.75 0.309 . . . . 0.0 111.111 179.721 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 50' ' ' TRP . . . 101.26 18.1 20.33 Favored Glycine 0 CA--C 1.521 0.463 0 C-N-CA 120.611 -0.804 . . . . 0.0 111.202 -179.333 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -77.44 163.18 26.6 Favored 'General case' 0 CA--C 1.519 -0.238 0 O-C-N 122.437 -0.449 . . . . 0.0 110.509 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.438 HG11 HD13 ' A' ' 59' ' ' LEU . 63.9 t -67.33 122.29 18.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 O-C-N 123.414 0.446 . . . . 0.0 111.025 -178.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -73.69 -51.04 17.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.724 179.366 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 62.4 pttt -145.62 150.15 35.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.234 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.482 HD21 ' CD2' ' A' ' 27' ' ' PHE . 5.4 tp -147.41 141.18 25.7 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 121.125 0.488 . . . . 0.0 110.705 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -93.22 134.07 35.79 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.774 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.432 ' HE ' ' HB2' ' A' ' 67' ' ' PHE . 22.4 mtt180 -76.87 170.3 16.73 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.26 0.552 . . . . 0.0 110.96 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.474 ' CZ ' ' O ' ' A' ' 31' ' ' GLY . 4.5 tpp180 -68.03 -9.33 44.99 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.262 179.398 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.42 ' O ' ' CB ' ' A' ' 64' ' ' ASN . 94.4 m-20 -97.92 7.28 46.61 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.107 -179.609 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.42 ' CB ' ' O ' ' A' ' 63' ' ' ASP . 1.9 m-20 79.03 -6.81 1.85 Allowed 'General case' 0 CA--C 1.52 -0.177 0 O-C-N 123.258 0.349 . . . . 0.0 110.392 179.481 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 18.2 p -75.22 125.39 28.86 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -74.98 128.98 36.85 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.598 -179.561 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.432 ' HB2' ' HE ' ' A' ' 61' ' ' ARG . 33.4 t80 -124.54 116.27 22.19 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 120.961 0.41 . . . . 0.0 109.972 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -81.34 143.34 32.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.399 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -117.55 153.35 33.36 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.732 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.528 ' O ' ' NH2' ' A' ' 26' ' ' ARG . 0.3 OUTLIER -96.66 126.63 41.97 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.029 -179.876 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.676 ' HZ3' ' CD ' ' A' ' 52' ' ' GLU . 13.4 pttt -58.0 -24.66 59.11 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.41 0.624 . . . . 0.0 110.688 -179.544 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.52 ' CB ' ' OD1' ' A' ' 70' ' ' ASN . 2.4 tt0 -73.3 154.29 40.2 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.827 -178.472 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.654 ' NE ' ' CE2' ' A' ' 17' ' ' TRP . 0.0 OUTLIER -56.17 130.85 45.99 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.056 179.495 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -127.89 -25.54 3.05 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.381 178.776 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.603 ' O ' ' NH1' ' A' ' 73' ' ' ARG . 36.2 m -80.77 132.02 35.48 Favored 'General case' 0 C--O 1.218 -0.579 0 CA-C-O 120.901 0.381 . . . . 0.0 111.209 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -112.48 165.48 12.19 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -48.34 -33.48 9.03 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-O 121.147 0.499 . . . . 0.0 109.948 -179.073 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.17 -28.79 69.91 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.612 179.212 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.691 ' O ' HG23 ' A' ' 83' ' ' VAL . 74.5 mt-10 -81.79 -30.08 32.43 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 109.946 -0.391 . . . . 0.0 109.946 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.579 HG11 ' C ' ' A' ' 15' ' ' LYS . 63.8 t -56.79 -47.5 82.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 179.796 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -64.89 -42.94 94.37 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.741 179.595 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 33.5 mtmt -74.84 -24.81 58.66 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.231 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.691 HG23 ' O ' ' A' ' 79' ' ' GLU . 68.3 t -83.88 130.75 35.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.322 0.582 . . . . 0.0 111.56 -179.446 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.427 ' O ' ' NE2' ' A' ' 28' ' ' GLN . 22.6 pttm -109.4 142.76 39.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.109 179.58 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.784 HG13 ' CD1' ' A' ' 24' ' ' LEU . 2.6 t -107.75 124.31 63.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.914 0.387 . . . . 0.0 110.774 -178.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.568 ' O ' ' CD1' ' A' ' 86' ' ' TYR . 0.3 OUTLIER -89.77 146.8 24.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.845 179.807 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 4.2 m -128.45 128.54 68.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.989 0.423 . . . . 0.0 110.406 179.424 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 44.8 p90 . . . . . 0 C--O 1.218 -0.582 0 CA-C-O 118.065 -0.969 . . . . 0.0 110.555 179.869 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.299 0 N-CA-C 109.577 -1.409 . . . . 0.0 109.577 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 12.0 t 50.37 -162.48 0.06 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.801 0.334 . . . . 0.0 110.575 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -1' ' ' HIS . . . . . 0.417 ' O ' ' ND1' ' A' ' -1' ' ' HIS . 52.5 t-80 47.66 42.06 14.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.492 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 0' ' ' MET . . . . . 0.459 ' O ' ' CG ' ' A' ' 0' ' ' MET . 0.0 OUTLIER -138.13 52.54 1.84 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.685 -179.888 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.2 mmt -69.96 139.79 52.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.46 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -70.61 123.55 22.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.581 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 98.5 m -61.82 -48.2 81.67 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.449 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 35.9 t -163.66 123.72 2.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.398 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 58.3 p30 -158.21 -178.89 7.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.535 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 67.5 t -109.77 119.71 59.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.375 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -99.09 149.15 35.5 Favored Pre-proline 0 CA--C 1.532 0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.36 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -67.84 150.96 78.89 Favored 'Trans proline' 0 C--N 1.308 -1.601 0 C-N-CA 122.786 2.324 . . . . 0.0 112.428 179.61 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -97.0 -40.38 8.9 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.857 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 49.2 m -162.39 169.71 20.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.858 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.8 mp -129.63 128.88 66.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.504 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 67.8 m -118.88 175.93 5.52 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.387 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? -117.15 132.63 56.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.637 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.436 ' O ' HG12 ' A' ' 80' ' ' VAL . . . -69.62 151.97 45.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.963 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.637 ' C ' HG11 ' A' ' 80' ' ' VAL . 34.8 mmtm -96.07 -39.75 9.58 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.554 -179.635 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.1 tptm -131.39 -174.88 3.52 Favored 'General case' 0 C--N 1.334 -0.086 0 CA-C-O 121.079 0.466 . . . . 0.0 110.916 179.589 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.491 ' CE2' ' HG2' ' A' ' 73' ' ' ARG . 66.5 t90 -95.67 125.89 40.56 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.674 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.486 ' O ' ' N ' ' A' ' 21' ' ' ILE . 42.5 t -150.34 151.81 33.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.498 179.786 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -42.15 -27.16 0.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.252 -179.398 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 18' ' ' SER . 98.9 mt-10 -69.47 -40.5 77.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.749 179.374 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.486 ' N ' ' O ' ' A' ' 18' ' ' SER . 4.6 mm -72.76 -59.31 3.51 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.164 -179.004 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.537 ' OE2' ' NH1' ' A' ' 73' ' ' ARG . 32.0 tp10 -48.01 -48.6 32.71 Favored 'General case' 0 CA--C 1.512 -0.503 0 C-N-CA 120.489 -0.484 . . . . 0.0 110.104 -178.728 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -56.61 -52.06 66.28 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 120.488 -0.485 . . . . 0.0 111.079 -179.322 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.791 ' CD1' HG13 ' A' ' 85' ' ' VAL . 64.7 mt -55.65 -40.39 72.17 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.097 -179.04 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -60.95 -48.13 83.23 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.802 0.334 . . . . 0.0 110.152 178.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.742 HH21 ' NH2' ' A' ' 73' ' ' ARG . 87.2 mtt180 -61.95 -50.09 73.53 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.631 -0.427 . . . . 0.0 111.113 -179.265 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.412 ' CE1' HG21 ' A' ' 56' ' ' VAL . 33.4 m-85 -63.19 -47.77 81.18 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.3 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -55.89 -40.59 73.22 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.523 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 73.5 mm-40 -63.58 -38.41 91.04 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.475 177.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.673 ' HB2' HD13 ' A' ' 59' ' ' LEU . . . -68.87 -17.48 63.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.478 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.508 ' O ' ' NE ' ' A' ' 62' ' ' ARG . . . 104.97 7.99 37.36 Favored Glycine 0 CA--C 1.527 0.82 0 N-CA-C 111.255 -0.738 . . . . 0.0 111.255 -179.711 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.637 ' CE1' HG21 ' A' ' 41' ' ' VAL . 25.6 m-85 -111.98 147.05 36.74 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-O 120.936 0.398 . . . . 0.0 110.449 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -77.08 -34.31 56.99 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.847 179.799 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.455 ' OD2' ' OH ' ' A' ' 86' ' ' TYR . 51.7 p-10 -165.82 176.54 7.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.514 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -49.7 -37.49 29.21 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.502 -179.453 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 31.8 mm -52.8 -56.42 7.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.084 -179.202 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 52.4 tp10 -60.5 -39.98 89.69 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.006 0.432 . . . . 0.0 110.486 -179.504 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.484 ' CE2' HG22 ' A' ' 47' ' ' VAL . 43.4 t80 -60.99 -47.42 86.52 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.461 179.64 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.476 ' O ' ' N ' ' A' ' 43' ' ' GLN . 43.9 mttm -60.42 -41.14 93.33 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.12 -178.795 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -62.36 -42.6 99.53 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.636 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.637 HG21 ' CE1' ' A' ' 32' ' ' TYR . 75.8 t -62.56 -44.94 99.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.203 -179.372 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.683 ' O ' HG13 ' A' ' 44' ' ' VAL . 72.3 mmtt -94.8 4.2 54.1 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 -179.647 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.476 ' N ' ' O ' ' A' ' 39' ' ' LYS . 19.3 mp0 46.15 50.49 11.82 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.619 179.195 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.683 HG13 ' O ' ' A' ' 42' ' ' LYS . 26.7 m -127.6 -171.61 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.548 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.448 ' C ' ' NZ ' ' A' ' 39' ' ' LYS . . . -144.77 22.36 1.61 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.762 -179.591 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.47 ' SD ' ' O ' ' A' ' 46' ' ' MET . 0.0 OUTLIER -161.27 143.22 11.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.678 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.484 HG22 ' CE2' ' A' ' 38' ' ' TYR . 12.2 t -116.94 137.38 51.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.239 -179.722 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -69.06 120.62 15.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.319 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.492 ' CZ ' ' O ' ' A' ' 54' ' ' GLY . 22.2 mtm180 -136.52 165.87 24.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.544 -179.376 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.525 ' O ' ' N ' ' A' ' 54' ' ' GLY . 68.9 m95 -94.15 140.43 22.85 Favored Pre-proline 0 C--O 1.217 -0.637 0 C-N-CA 120.362 -0.535 . . . . 0.0 111.081 -179.457 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -65.78 -30.69 49.62 Favored 'Trans proline' 0 C--N 1.3 -1.976 0 C-N-CA 122.456 2.104 . . . . 0.0 112.61 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 52.3 mp0 -56.37 -50.55 71.23 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.153 -178.438 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.412 ' HB ' ' CE2' ' A' ' 55' ' ' TYR . 24.7 p -119.57 -31.06 4.68 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.706 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 50' ' ' TRP . . . 90.54 18.46 48.58 Favored Glycine 0 N--CA 1.465 0.586 0 C-N-CA 120.62 -0.8 . . . . 0.0 111.112 -179.587 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.419 ' HH ' ' HZ2' ' A' ' 17' ' ' TRP . 23.3 m-85 -83.75 159.67 21.42 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.81 0.338 . . . . 0.0 111.088 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.456 ' O ' ' NH1' ' A' ' 26' ' ' ARG . 87.4 t -59.19 124.26 13.08 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.604 -178.825 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.403 ' HA ' ' HE1' ' A' ' 50' ' ' TRP . 77.5 tttt -77.67 -48.76 16.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.768 179.623 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 62.3 pttt -141.2 146.19 36.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.024 -179.548 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.673 HD13 ' HB2' ' A' ' 30' ' ' ALA . 0.4 OUTLIER -145.41 137.82 25.82 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.955 179.325 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.47 ' H ' HD23 ' A' ' 59' ' ' LEU . 14.0 tt0 -90.07 131.63 35.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.883 0.373 . . . . 0.0 110.317 179.443 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.9 mmm180 -73.77 165.28 25.39 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 -179.292 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.508 ' NE ' ' O ' ' A' ' 31' ' ' GLY . 4.5 mtt-85 -65.91 -6.57 12.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.307 179.616 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.433 ' O ' ' CB ' ' A' ' 64' ' ' ASN . 95.8 m-20 -100.48 7.75 43.96 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.918 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.433 ' CB ' ' O ' ' A' ' 63' ' ' ASP . 3.5 m-20 79.76 -6.46 1.79 Allowed 'General case' 0 CA--C 1.522 -0.112 0 O-C-N 123.355 0.409 . . . . 0.0 110.567 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 25.2 p -76.2 125.67 29.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.375 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -70.86 129.13 38.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.707 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -122.17 112.84 18.69 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.337 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -82.63 141.87 32.17 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.482 179.637 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -114.28 151.02 33.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.312 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.481 ' OD1' ' CB ' ' A' ' 72' ' ' GLU . 0.3 OUTLIER -98.9 125.42 44.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.229 179.554 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 30.5 pttt -56.76 -17.86 10.58 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.171 0.51 . . . . 0.0 110.378 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.518 ' O ' ' NH2' ' A' ' 73' ' ' ARG . 1.5 mt-10 -77.65 143.0 38.53 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 -179.52 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.751 ' NE ' ' HA ' ' A' ' 73' ' ' ARG . 0.0 OUTLIER -116.0 116.86 28.67 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 179.162 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -112.72 32.32 5.73 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.564 178.349 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.463 ' H ' ' HG3' ' A' ' 73' ' ' ARG . 1.7 t -87.93 141.58 28.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.283 179.677 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -129.3 174.42 9.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.385 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -47.91 -24.07 0.93 Allowed 'General case' 0 C--O 1.236 0.366 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.307 -179.069 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 55.1 pttt -68.0 -30.78 70.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.493 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.756 ' O ' HG23 ' A' ' 83' ' ' VAL . 3.7 mm-40 -83.49 -34.91 25.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.84 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.637 HG11 ' C ' ' A' ' 15' ' ' LYS . 54.5 t -57.32 -44.15 83.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 78.8 m80 -71.01 -40.74 71.62 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.967 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.52 -27.88 63.51 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.866 0.365 . . . . 0.0 110.777 179.646 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.756 HG23 ' O ' ' A' ' 79' ' ' GLU . 77.8 t -79.05 134.81 27.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.284 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.27 143.3 35.72 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.593 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.791 HG13 ' CD1' ' A' ' 24' ' ' LEU . 16.4 t -115.05 115.48 49.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 120.867 0.365 . . . . 0.0 110.079 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.575 ' O ' ' CD1' ' A' ' 86' ' ' TYR . 0.2 OUTLIER -85.0 150.28 25.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.932 -179.675 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.533 ' O ' HG13 ' A' ' 87' ' ' VAL . 4.8 p -129.31 123.11 57.39 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.286 179.565 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 31.5 p90 . . . . . 0 C--O 1.218 -0.587 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.378 179.915 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.208 0 N-CA-C 109.469 -1.452 . . . . 0.0 109.469 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 82.7 p -67.08 -22.73 65.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.861 0.362 . . . . 0.0 110.573 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 34.1 p80 -89.98 170.65 10.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.57 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 3.1 tpt -148.46 9.66 0.83 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.444 179.683 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.1 ptp -147.75 155.77 42.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.583 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.35 142.34 58.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.69 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.9 m 51.53 69.47 0.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.569 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 87.1 p -64.06 -41.39 97.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.704 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -173.16 67.09 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.569 179.582 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 93.6 t -118.26 127.52 75.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.73 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -116.42 150.52 45.58 Favored Pre-proline 0 N--CA 1.45 -0.473 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.462 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -46.54 165.75 0.08 OUTLIER 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 123.094 2.53 . . . . 0.0 112.134 178.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.445 ' O ' ' OG ' ' A' ' 10' ' ' SER . 38.1 ttpt -82.83 -41.94 18.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.961 179.217 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.445 ' OG ' ' O ' ' A' ' 9' ' ' LYS . 69.5 m -170.53 174.21 5.19 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.611 -178.701 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.5 mp -131.47 130.75 62.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.694 179.652 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 64.3 m -123.02 178.67 4.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.631 -179.446 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.3 mtm105 -115.52 131.94 56.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.674 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.23 152.48 45.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.578 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? -95.23 -39.97 9.8 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.899 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.782 ' CD ' ' H ' ' A' ' 17' ' ' TRP . 0.1 OUTLIER -137.06 -171.09 2.86 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.886 -179.883 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.782 ' H ' ' CD ' ' A' ' 16' ' ' LYS . 48.6 t90 -96.59 133.21 41.37 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.466 -0.788 . . . . 0.0 112.1 179.701 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 21' ' ' ILE . 84.1 p -157.01 155.8 31.86 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.199 178.215 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.4 pt-20 -42.47 -27.96 0.19 Allowed 'General case' 0 C--O 1.237 0.399 0 CA-C-O 120.937 0.399 . . . . 0.0 110.254 -179.605 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.572 ' O ' HD23 ' A' ' 24' ' ' LEU . 88.3 tt0 -69.73 -43.76 71.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.47 179.495 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.491 ' O ' ' N ' ' A' ' 24' ' ' LEU . 15.6 mm -73.28 -61.19 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 C-N-CA 120.606 -0.438 . . . . 0.0 110.417 -178.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.545 ' OE1' ' CE1' ' A' ' 55' ' ' TYR . 85.4 tt0 -37.85 -46.24 0.92 Allowed 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 -179.108 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -62.25 -46.19 89.94 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.661 178.561 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.572 HD23 ' O ' ' A' ' 20' ' ' GLU . 2.2 mm? -55.38 -46.33 76.52 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.823 -179.735 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -56.23 -49.71 73.35 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 121.004 -0.278 . . . . 0.0 110.624 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.558 ' NH2' ' O ' ' A' ' 70' ' ' ASN . 93.4 mtt180 -60.11 -46.58 89.14 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.203 -179.502 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -62.56 -49.18 76.29 Favored 'General case' 0 CA--C 1.528 0.124 0 CA-C-O 120.734 0.302 . . . . 0.0 110.537 179.698 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -55.96 -42.11 75.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.087 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 89.8 mm-40 -63.35 -39.0 93.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.847 178.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 62' ' ' ARG . . . -73.84 -18.33 60.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.035 0.445 . . . . 0.0 110.625 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.575 ' HA3' ' HE ' ' A' ' 62' ' ' ARG . . . 103.32 5.65 45.85 Favored Glycine 0 CA--C 1.527 0.796 0 N-CA-C 111.311 -0.715 . . . . 0.0 111.311 -179.713 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -102.87 149.93 24.01 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 121.14 0.495 . . . . 0.0 110.501 179.192 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.428 ' CD ' ' H ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -86.34 -39.45 16.45 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.315 -179.816 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.488 ' CG ' ' N ' ' A' ' 35' ' ' GLU . 31.8 t70 -166.61 173.56 9.61 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.398 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.488 ' N ' ' CG ' ' A' ' 34' ' ' ASP . 4.5 mm-40 -42.79 -35.03 1.04 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.644 -179.235 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 88.8 mt -54.16 -49.06 64.8 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 C-N-CA 120.67 -0.412 . . . . 0.0 111.277 -177.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -68.22 -42.51 79.69 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 120.924 -0.311 . . . . 0.0 111.586 -179.474 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -59.22 -47.4 85.46 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.222 -179.084 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.481 ' O ' ' N ' ' A' ' 43' ' ' GLN . 58.4 mttp -61.35 -41.34 96.89 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.262 -179.188 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -63.25 -42.07 99.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.846 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.0 t -61.7 -45.97 97.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.399 -179.5 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.644 ' O ' HG13 ' A' ' 44' ' ' VAL . 32.7 mmtp -94.17 0.81 56.0 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.664 -179.651 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.481 ' N ' ' O ' ' A' ' 39' ' ' LYS . 77.3 mm-40 48.61 51.33 15.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.931 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.644 HG13 ' O ' ' A' ' 42' ' ' LYS . 32.7 m -129.67 -173.2 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.404 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -138.05 8.24 2.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.63 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -138.71 136.45 35.8 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.992 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 17.7 t -108.52 137.94 37.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.38 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -70.68 118.11 13.05 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.212 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.522 ' NE ' ' O ' ' A' ' 54' ' ' GLY . 33.1 mtp180 -140.62 164.5 30.0 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.544 -179.578 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.468 ' O ' ' HA2' ' A' ' 54' ' ' GLY . 80.2 m95 -92.18 143.55 27.68 Favored Pre-proline 0 C--O 1.219 -0.521 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.121 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -66.8 -34.22 31.61 Favored 'Trans proline' 0 C--N 1.303 -1.855 0 C-N-CA 122.566 2.178 . . . . 0.0 112.355 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -46.07 -48.12 17.04 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.648 -178.48 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.492 ' OG1' ' CD2' ' A' ' 55' ' ' TYR . 23.2 p -131.22 -34.45 1.42 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.23 179.544 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.522 ' O ' ' NE ' ' A' ' 49' ' ' ARG . . . 100.64 21.77 12.14 Favored Glycine 0 N--CA 1.463 0.483 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 -179.624 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.545 ' CE1' ' OE1' ' A' ' 22' ' ' GLU . 29.3 m-85 -79.88 158.28 26.75 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 120.635 0.255 . . . . 0.0 110.86 179.501 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.498 HG11 HD13 ' A' ' 59' ' ' LEU . 56.7 t -60.82 120.66 6.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.598 -179.102 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 45.4 tttm -74.79 -49.29 21.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.663 179.109 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 62.4 pttt -143.34 148.7 36.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.261 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.498 HD13 HG11 ' A' ' 56' ' ' VAL . 6.6 tp -146.87 130.82 17.18 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.796 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -81.25 133.49 35.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.601 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.445 HH11 ' HD2' ' A' ' 61' ' ' ARG . 3.6 mtm105 -75.6 168.07 20.7 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.493 -178.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.575 ' HE ' ' HA3' ' A' ' 31' ' ' GLY . 2.5 mtm180 -68.27 -6.71 25.31 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.545 179.18 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -100.42 11.2 39.98 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.65 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 14.9 m-20 69.33 36.95 2.16 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 120.638 0.256 . . . . 0.0 111.173 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 25.2 p -120.26 129.61 54.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.23 179.141 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -76.71 123.23 25.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.767 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -121.91 120.63 35.03 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.379 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -82.18 136.31 35.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.459 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -107.86 157.04 18.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.765 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.558 ' O ' ' NH2' ' A' ' 26' ' ' ARG . 2.4 p30 -90.81 127.58 36.4 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.537 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.25 -14.86 59.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.283 0.563 . . . . 0.0 110.49 179.614 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.522 ' O ' ' C ' ' A' ' 73' ' ' ARG . 99.5 mt-10 -83.13 69.56 9.9 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.021 -179.457 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.671 ' NE ' ' CE2' ' A' ' 17' ' ' TRP . 0.0 OUTLIER -31.05 122.46 0.22 Allowed 'General case' 0 N--CA 1.445 -0.701 0 O-C-N 123.783 0.677 . . . . 0.0 109.924 179.515 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -145.33 38.77 1.16 Allowed 'General case' 0 C--N 1.322 -0.61 0 O-C-N 121.883 -0.51 . . . . 0.0 110.211 176.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 1.2 m -89.15 154.85 19.82 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.773 0.321 . . . . 0.0 110.953 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -126.83 171.0 11.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.636 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.467 ' OD1' ' N ' ' A' ' 78' ' ' LYS . 55.7 p-10 -49.97 -19.56 0.74 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.527 -179.556 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.467 ' N ' ' OD1' ' A' ' 77' ' ' ASP . 38.8 ttpt -63.12 -39.65 95.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.658 179.525 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.529 ' O ' HG23 ' A' ' 83' ' ' VAL . 1.6 tp10 -81.12 -31.7 34.13 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-O 120.671 0.272 . . . . 0.0 110.399 -179.722 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 78.9 t -57.83 -45.44 87.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.895 0.378 . . . . 0.0 110.0 -179.533 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 74.5 m80 -70.16 -40.28 74.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.949 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.02 -27.29 64.55 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 79' ' ' GLU . 72.2 t -87.88 134.99 26.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.985 -179.482 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 38.6 pttt -115.03 131.78 56.81 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.345 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 38.4 t -98.52 123.71 51.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.023 0.439 . . . . 0.0 110.329 -179.064 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.542 ' O ' ' CD1' ' A' ' 86' ' ' TYR . 0.2 OUTLIER -83.74 153.62 24.05 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.713 179.542 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.0 m -126.64 126.97 69.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.626 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 43.7 p90 . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 118.003 -0.999 . . . . 0.0 110.424 179.863 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.273 0 N-CA-C 109.61 -1.396 . . . . 0.0 109.61 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 48.3 t -60.75 -45.0 96.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.595 0.236 . . . . 0.0 110.607 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -135.45 106.28 6.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.504 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 1.9 ttt -175.86 117.26 0.14 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.484 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 75.4 mtm -104.68 127.94 52.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.5 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -71.39 146.18 48.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.622 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 72.3 p -79.59 -11.13 59.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.588 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 72.6 p -106.02 62.6 0.66 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.806 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.449 ' OD1' ' O ' ' A' ' 5' ' ' ASP . 53.8 p-10 -124.65 83.84 2.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.62 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 85.1 t -98.71 119.3 46.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.696 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 60.0 pttt -75.57 149.24 83.6 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.792 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.551 ' HB3' ' CD1' ' A' ' 86' ' ' TYR . 43.3 Cg_endo -68.89 162.75 40.21 Favored 'Trans proline' 0 C--N 1.308 -1.562 0 C-N-CA 122.725 2.283 . . . . 0.0 112.675 179.123 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -81.88 -50.03 9.65 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.7 m -155.17 164.71 38.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.408 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.447 HD13 ' HA ' ' A' ' 86' ' ' TYR . 40.5 mm -121.62 129.88 75.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.101 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.7 m -123.3 173.87 7.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.549 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.477 ' CZ ' ' O ' ' A' ' 81' ' ' HIS . 30.5 mmm-85 -113.45 128.78 56.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.536 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.415 ' CB ' HG13 ' A' ' 80' ' ' VAL . . . -59.29 151.81 22.43 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.674 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.508 ' C ' HG11 ' A' ' 80' ' ' VAL . 29.1 mmtp -99.45 -41.9 7.19 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.997 -179.32 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -146.35 148.34 32.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.335 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.757 ' N ' HG21 ' A' ' 80' ' ' VAL . 65.4 t90 -56.39 137.17 53.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.151 -179.228 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 60.1 p -167.36 164.72 15.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.511 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -45.35 -35.29 3.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.513 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.403 ' O ' HD23 ' A' ' 24' ' ' LEU . 52.8 tp10 -65.39 -48.18 73.76 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.576 179.385 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.489 HD13 ' N ' ' A' ' 21' ' ' ILE . 4.3 mm -67.7 -57.82 8.25 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.487 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 -178.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 21' ' ' ILE . 2.1 tm-20 -37.73 -46.3 0.88 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 123.579 0.549 . . . . 0.0 110.023 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.677 ' ND2' ' CE1' ' A' ' 27' ' ' PHE . 11.5 t-20 -62.95 -47.71 82.02 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.191 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 21' ' ' ILE . 3.1 mm? -54.74 -47.07 74.28 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.677 -178.688 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -58.98 -49.6 77.28 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.784 -0.367 . . . . 0.0 110.533 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.693 ' HE ' ' NH1' ' A' ' 73' ' ' ARG . 91.3 mtt180 -59.24 -47.64 84.61 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.335 -0.546 . . . . 0.0 110.623 -179.304 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.677 ' CE1' ' ND2' ' A' ' 23' ' ' ASN . 7.0 m-85 -63.12 -48.09 79.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.949 0.404 . . . . 0.0 110.376 -179.624 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -55.88 -43.31 77.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.064 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 94.0 mm-40 -63.13 -39.63 95.25 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.613 178.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.78 -20.13 61.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.868 0.366 . . . . 0.0 110.461 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 107.46 2.22 35.22 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.385 -0.686 . . . . 0.0 111.385 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.554 ' CE1' HG21 ' A' ' 41' ' ' VAL . 9.1 m-85 -104.23 150.14 24.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.962 0.41 . . . . 0.0 109.993 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.93 -35.5 20.45 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.71 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.447 ' CG ' ' H ' ' A' ' 35' ' ' GLU . 37.4 t0 -174.22 -176.08 1.09 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.682 -179.796 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.447 ' H ' ' CG ' ' A' ' 34' ' ' ASP . 15.7 pt-20 -43.08 -42.04 3.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.859 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 46.3 mm -48.97 -63.61 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 C-N-CA 120.731 -0.388 . . . . 0.0 111.217 -178.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.534 ' O ' HG23 ' A' ' 41' ' ' VAL . 51.3 tp10 -63.79 -42.17 97.78 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.377 -179.173 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.486 ' CE2' HD11 ' A' ' 59' ' ' LEU . 1.5 t80 -58.8 -51.09 71.49 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 119.76 -0.776 . . . . 0.0 110.965 -177.833 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.602 ' O ' ' N ' ' A' ' 43' ' ' GLN . 97.7 mttt -61.57 -40.66 95.53 Favored 'General case' 0 C--O 1.22 -0.456 0 C-N-CA 120.679 -0.408 . . . . 0.0 111.276 -178.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -62.83 -41.7 99.43 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.368 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.554 HG21 ' CE1' ' A' ' 32' ' ' TYR . 72.8 t -60.6 -46.51 95.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 C-N-CA 120.747 -0.381 . . . . 0.0 111.452 -178.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -99.99 0.06 40.3 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.802 -179.712 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.602 ' N ' ' O ' ' A' ' 39' ' ' LYS . 73.8 mt-30 47.53 53.45 11.07 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.577 -179.702 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 16.8 m -117.81 -169.53 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.683 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -137.77 -34.87 0.66 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.99 -179.393 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 26.8 ptt? -110.84 148.41 32.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.486 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 48.0 t -113.15 135.85 51.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.333 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -72.61 117.99 14.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.22 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.507 ' HE ' ' N ' ' A' ' 56' ' ' VAL . 29.2 mtp180 -139.14 170.21 16.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.496 -179.638 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.435 ' O ' ' N ' ' A' ' 54' ' ' GLY . 65.3 m95 -97.11 141.85 23.65 Favored Pre-proline 0 C--O 1.221 -0.417 0 C-N-CA 120.125 -0.63 . . . . 0.0 111.068 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -65.48 -29.75 52.99 Favored 'Trans proline' 0 C--N 1.306 -1.691 0 C-N-CA 122.423 2.082 . . . . 0.0 112.785 -179.484 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 32.9 mp0 -51.99 -50.52 61.15 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.589 -178.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.442 ' OG1' ' CD2' ' A' ' 55' ' ' TYR . 45.0 p -126.47 -35.36 2.37 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.97 -0.292 . . . . 0.0 111.113 179.678 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.505 ' O ' ' CZ ' ' A' ' 49' ' ' ARG . . . 99.66 25.34 9.29 Favored Glycine 0 N--CA 1.463 0.456 0 C-N-CA 120.596 -0.811 . . . . 0.0 111.268 -179.671 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.442 ' CD2' ' OG1' ' A' ' 53' ' ' THR . 28.9 m-85 -86.51 154.8 20.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.727 0.299 . . . . 0.0 110.635 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.572 HG11 HD13 ' A' ' 59' ' ' LEU . 41.1 t -56.94 124.09 9.85 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.227 -178.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -75.18 -51.83 12.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.996 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 63.0 pttt -141.85 148.19 38.4 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.383 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.572 HD13 HG11 ' A' ' 56' ' ' VAL . 5.9 tp -147.63 134.92 20.6 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.564 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -85.47 136.13 33.56 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.429 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.429 ' HE ' ' HB2' ' A' ' 67' ' ' PHE . 22.3 mtt180 -78.55 168.35 19.91 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.215 -179.346 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.448 ' NH2' ' OE2' ' A' ' 37' ' ' GLU . 5.4 mmt180 -68.92 -7.11 31.85 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.178 179.634 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -98.27 5.65 48.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.712 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 73.79 37.42 0.67 Allowed 'General case' 0 N--CA 1.456 -0.165 0 CA-C-O 120.718 0.294 . . . . 0.0 111.137 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 33.0 p -121.44 129.81 53.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.244 179.162 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -74.47 124.13 26.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.432 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.429 ' HB2' ' HE ' ' A' ' 61' ' ' ARG . 41.3 t80 -122.06 117.98 27.63 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.293 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -82.0 134.58 35.37 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.442 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -106.17 153.63 21.84 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.633 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.539 ' O ' ' NH2' ' A' ' 26' ' ' ARG . 3.8 p30 -100.51 134.44 43.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.052 179.682 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.7 pttm -71.48 -31.01 66.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.126 0.488 . . . . 0.0 110.629 179.11 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 73' ' ' ARG . 97.2 mt-10 -74.49 53.0 0.52 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.27 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.693 ' NH1' ' HE ' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -32.41 138.65 0.05 OUTLIER 'General case' 0 C--O 1.232 0.139 0 O-C-N 123.704 0.628 . . . . 0.0 111.136 -179.553 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -127.71 36.11 4.4 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.863 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.509 ' SG ' ' N ' ' A' ' 76' ' ' GLU . 0.7 OUTLIER -88.49 150.16 23.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.201 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.509 ' N ' ' SG ' ' A' ' 75' ' ' CYS . 5.0 tp10 -135.23 175.91 9.15 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.421 -179.591 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.523 ' OD1' ' N ' ' A' ' 78' ' ' LYS . 57.0 p30 -47.83 -20.24 0.29 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.303 -179.627 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.523 ' N ' ' OD1' ' A' ' 77' ' ' ASP . 37.0 ttpt -66.83 -36.9 83.42 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.64 179.235 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.684 ' O ' HG23 ' A' ' 83' ' ' VAL . 0.7 OUTLIER -80.45 -36.16 33.93 Favored 'General case' 0 C--O 1.216 -0.668 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.29 -179.734 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.757 HG21 ' N ' ' A' ' 17' ' ' TRP . 53.5 t -59.14 -41.65 84.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 C-N-CA 120.28 -0.568 . . . . 0.0 110.553 179.514 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.477 ' O ' ' CZ ' ' A' ' 13' ' ' ARG . 60.8 m80 -68.32 -42.59 79.14 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.186 -0.461 . . . . 0.0 112.04 -178.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.99 -20.16 39.03 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.606 -0.438 . . . . 0.0 111.066 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.684 HG23 ' O ' ' A' ' 79' ' ' GLU . 74.2 t -85.75 138.08 19.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.447 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -108.07 159.46 16.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.564 179.635 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 60.0 t -127.42 124.25 63.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.511 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.551 ' CD1' ' HB3' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -87.88 141.5 28.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 179.686 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.532 ' N ' ' CD1' ' A' ' 86' ' ' TYR . 12.6 m -128.6 134.4 64.66 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-O 121.621 0.724 . . . . 0.0 111.348 179.31 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 29.8 p90 . . . . . 0 C--N 1.323 -0.554 0 CA-C-O 117.893 -1.051 . . . . 0.0 110.146 179.601 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.308 0 N-CA-C 109.573 -1.411 . . . . 0.0 109.573 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 1.4 p 47.23 81.77 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.778 0.323 . . . . 0.0 110.701 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -63.77 -39.3 93.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.563 179.725 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 0' ' ' MET . . . . . 0.47 ' CG ' ' H ' ' A' ' 1' ' ' MET . 1.8 ttt -134.86 -144.7 0.22 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.536 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.47 ' H ' ' CG ' ' A' ' 0' ' ' MET . 65.6 mtt -103.65 136.81 42.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.5 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.69 137.94 58.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.538 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 80.5 p -85.99 -31.09 22.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.733 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 46.0 t -163.09 148.77 11.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.672 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -106.07 142.39 35.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.297 179.609 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 98.4 t -89.88 109.54 20.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.465 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -118.5 149.91 47.02 Favored Pre-proline 0 C--N 1.331 -0.204 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.649 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -67.95 155.78 68.41 Favored 'Trans proline' 0 C--N 1.308 -1.598 0 C-N-CA 122.863 2.375 . . . . 0.0 112.2 179.022 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -82.09 -45.42 15.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.809 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.447 ' O ' HG22 ' A' ' 87' ' ' VAL . 70.3 m -165.47 177.7 7.27 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.68 -179.809 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.4 mp -133.05 130.56 58.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.416 179.482 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.3 m -119.33 177.46 4.9 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.556 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 91.1 mtt180 -111.24 130.51 55.63 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.764 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.462 ' O ' HG12 ' A' ' 80' ' ' VAL . . . -66.86 148.12 52.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.509 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.641 ' C ' HG11 ' A' ' 80' ' ' VAL . 44.4 mmtm -95.78 -37.12 10.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.346 -179.691 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.9 ttpp -132.17 -177.46 4.46 Favored 'General case' 0 C--O 1.226 -0.144 0 CA-C-O 121.002 0.429 . . . . 0.0 111.022 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.437 ' NE1' ' HD3' ' A' ' 73' ' ' ARG . 61.4 t90 -96.64 134.56 39.73 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.984 -179.418 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.6 m -160.23 160.0 32.19 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.624 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -46.06 -28.48 1.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.081 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.549 ' O ' HD23 ' A' ' 24' ' ' LEU . 49.4 mp0 -68.68 -44.17 74.58 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.688 179.234 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.444 HD13 ' N ' ' A' ' 21' ' ' ILE . 5.5 mm -71.04 -58.81 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 C-N-CA 120.471 -0.492 . . . . 0.0 109.806 -179.324 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.424 ' CD ' ' N ' ' A' ' 23' ' ' ASN . 1.8 tm-20 -40.33 -45.41 2.13 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.985 -179.697 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.438 ' ND2' ' CE2' ' A' ' 27' ' ' PHE . 16.8 t-20 -60.45 -49.59 76.97 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.797 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.549 HD23 ' O ' ' A' ' 20' ' ' GLU . 3.5 mm? -54.59 -44.26 72.87 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.737 -178.816 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 73.1 t80 -59.73 -48.93 79.71 Favored 'General case' 0 C--N 1.319 -0.759 0 C-N-CA 120.794 -0.362 . . . . 0.0 111.248 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.793 HH21 HH12 ' A' ' 73' ' ' ARG . 90.3 mtt180 -61.77 -48.59 79.96 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.569 -0.452 . . . . 0.0 111.418 -178.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.438 ' CE2' ' ND2' ' A' ' 23' ' ' ASN . 33.4 m-85 -65.35 -46.6 79.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.065 0.46 . . . . 0.0 110.552 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -54.27 -42.08 69.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.971 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -62.1 -36.84 82.94 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.409 178.549 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.36 -16.92 63.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.994 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 103.54 12.6 30.28 Favored Glycine 0 CA--C 1.527 0.804 0 N-CA-C 111.273 -0.731 . . . . 0.0 111.273 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.658 ' CE1' HG21 ' A' ' 41' ' ' VAL . 31.8 m-85 -114.31 146.51 40.4 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 121.182 0.515 . . . . 0.0 110.962 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.477 ' CD ' ' H ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -76.48 -36.17 57.99 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.186 179.664 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 52.3 p-10 -161.01 170.6 20.22 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.352 179.566 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -51.0 -30.08 14.2 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.531 -179.123 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 48.8 mm -57.91 -48.44 83.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.617 -178.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 44.8 tp10 -64.66 -40.59 95.69 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.969 0.414 . . . . 0.0 110.191 -179.655 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.446 ' CD1' HD11 ' A' ' 59' ' ' LEU . 32.2 t80 -60.75 -46.59 89.88 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.527 179.588 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.583 ' O ' ' N ' ' A' ' 43' ' ' GLN . 59.6 mttp -59.9 -40.69 89.61 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.043 -178.694 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -62.33 -41.5 98.61 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.975 0.417 . . . . 0.0 110.587 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.658 HG21 ' CE1' ' A' ' 32' ' ' TYR . 76.9 t -61.73 -44.28 98.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.025 -179.492 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.436 ' O ' HG13 ' A' ' 44' ' ' VAL . 27.4 mmtp -100.24 5.5 44.65 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.795 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.583 ' N ' ' O ' ' A' ' 39' ' ' LYS . 77.9 mt-30 37.93 59.74 1.3 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.636 179.583 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.436 HG13 ' O ' ' A' ' 42' ' ' LYS . 27.0 m -113.11 -166.28 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.452 -179.681 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -126.99 -28.7 2.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.805 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -151.03 163.64 38.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.49 -179.634 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.407 ' HB ' HH12 ' A' ' 49' ' ' ARG . 5.9 t -122.3 142.96 36.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 120.954 0.407 . . . . 0.0 110.244 -179.608 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -66.47 145.7 55.37 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.044 0.449 . . . . 0.0 110.686 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.407 HH12 ' HB ' ' A' ' 47' ' ' VAL . 65.1 mtt85 -140.36 153.65 46.46 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.318 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.618 ' CZ2' ' NZ ' ' A' ' 57' ' ' LYS . 75.7 m95 -78.28 145.6 68.89 Favored Pre-proline 0 C--O 1.222 -0.36 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -179.677 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.496 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 38.3 Cg_endo -68.99 164.05 35.28 Favored 'Trans proline' 0 C--N 1.306 -1.663 0 C-N-CA 122.074 1.849 . . . . 0.0 110.178 175.816 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.496 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 9.1 tp10 82.68 -48.11 0.17 Allowed 'General case' 0 CA--C 1.512 -0.506 0 O-C-N 123.041 0.213 . . . . 0.0 110.845 179.597 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.518 ' HB ' ' CE2' ' A' ' 55' ' ' TYR . 69.9 p -118.86 -37.86 3.18 Favored 'General case' 0 CA--C 1.519 -0.226 0 C-N-CA 119.771 -0.771 . . . . 0.0 111.63 -178.714 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 50' ' ' TRP . . . 85.07 20.51 57.38 Favored Glycine 0 CA--C 1.525 0.687 0 C-N-CA 120.546 -0.835 . . . . 0.0 111.126 -179.68 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.518 ' CE2' ' HB ' ' A' ' 53' ' ' THR . 24.6 m-85 -71.1 163.1 28.28 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.866 -0.333 . . . . 0.0 110.666 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 96.1 t -58.68 128.29 19.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.821 -178.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.618 ' NZ ' ' CZ2' ' A' ' 50' ' ' TRP . 8.3 tptp -73.0 -50.77 21.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.817 -179.659 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -155.81 153.93 30.57 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.48 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.558 HD13 ' N ' ' A' ' 60' ' ' GLN . 0.1 OUTLIER -145.03 131.17 19.4 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.503 -0.479 . . . . 0.0 110.88 179.647 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.558 ' N ' HD13 ' A' ' 59' ' ' LEU . 10.6 tt0 -80.02 130.24 35.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.138 0.494 . . . . 0.0 110.82 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.2 mtm180 -75.73 168.02 20.8 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.639 -178.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 15.9 mtt-85 -65.64 -11.43 44.65 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.114 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -94.47 12.49 27.07 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.637 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 56.4 m-20 65.53 37.07 6.22 Favored 'General case' 0 C--N 1.333 -0.134 0 O-C-N 123.326 0.391 . . . . 0.0 111.279 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 29.4 p -118.66 129.33 55.24 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.466 179.12 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -76.08 120.1 20.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.577 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -115.28 115.47 26.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.125 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -82.51 141.96 32.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.342 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 66.9 m-85 -114.39 148.55 37.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.723 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.838 HD22 ' HB2' ' A' ' 72' ' ' GLU . 1.0 OUTLIER -91.46 145.78 24.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.904 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.446 ' HB3' ' CG ' ' A' ' 50' ' ' TRP . 7.8 pttt -81.71 -21.25 38.11 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.673 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 1.036 ' O ' ' O ' ' A' ' 73' ' ' ARG . 1.0 OUTLIER -72.21 54.75 0.31 Allowed 'General case' 0 CA--C 1.499 -0.99 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.837 -178.658 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 1.036 ' O ' ' O ' ' A' ' 72' ' ' GLU . 4.1 tpm_? 8.05 153.67 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.528 0 CA-C-O 122.548 1.166 . . . . 0.0 112.709 -179.648 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 1.017 ' H ' ' NE ' ' A' ' 73' ' ' ARG . 7.9 tt0 -150.5 12.24 0.71 Allowed 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.126 -0.984 . . . . 0.0 111.472 177.665 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.855 ' H ' ' HE ' ' A' ' 73' ' ' ARG . 45.4 t -93.85 130.19 39.99 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 120.808 0.337 . . . . 0.0 111.883 -179.347 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -117.91 169.38 9.67 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.53 178.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -49.13 -30.43 6.66 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-O 121.205 0.526 . . . . 0.0 110.273 -179.424 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 41.9 mtpt -63.98 -29.72 70.86 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.456 179.531 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.664 ' O ' HG23 ' A' ' 83' ' ' VAL . 5.2 mt-10 -83.15 -28.19 29.55 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.785 179.481 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.641 HG11 ' C ' ' A' ' 15' ' ' LYS . 56.1 t -57.73 -48.32 83.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 179.517 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 32.4 m170 -68.63 -40.65 80.24 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.701 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.6 mmmt -72.3 -26.65 62.04 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.934 0.397 . . . . 0.0 110.888 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 79' ' ' GLU . 69.8 t -87.08 142.09 13.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.809 -179.773 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -113.84 158.12 21.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.49 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 61.7 t -127.11 126.95 69.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.67 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.534 ' O ' ' CD1' ' A' ' 86' ' ' TYR . 0.5 OUTLIER -81.33 144.66 31.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.42 179.731 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.447 HG22 ' O ' ' A' ' 10' ' ' SER . 6.3 m -126.19 138.02 55.91 Favored 'Isoleucine or valine' 0 C--O 1.231 0.132 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.582 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 35.3 p90 . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 118.041 -0.981 . . . . 0.0 110.521 -179.869 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.31 0 N-CA-C 109.62 -1.392 . . . . 0.0 109.62 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 69.9 m -67.59 144.37 55.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.819 0.342 . . . . 0.0 110.589 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -89.13 153.74 20.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.654 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.03 151.27 21.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.632 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.4 tpt -89.62 123.35 33.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.397 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.436 ' O ' ' O ' ' A' ' 3' ' ' THR . . . -67.55 145.93 54.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.53 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.436 ' O ' ' O ' ' A' ' 2' ' ' ALA . 0.0 OUTLIER 55.81 161.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.532 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.6 p -137.35 79.77 1.77 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.673 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 53.5 p-10 -81.35 -177.25 6.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.589 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 96.0 t -108.16 125.38 64.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.518 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.4 mmtp -98.27 150.2 36.5 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.351 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -67.95 156.4 66.04 Favored 'Trans proline' 0 C--N 1.309 -1.546 0 C-N-CA 122.726 2.284 . . . . 0.0 112.556 179.683 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -96.59 -41.97 8.28 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.397 -179.604 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 64.4 m -155.18 163.11 40.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.959 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.7 mp -129.81 134.42 63.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.572 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 39.0 t -126.22 176.57 6.98 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.55 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -113.81 130.64 56.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.527 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.568 ' HB3' HG13 ' A' ' 80' ' ' VAL . . . -65.45 154.21 39.14 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.061 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.73 -37.9 17.46 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.911 -179.729 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.711 ' CD ' ' H ' ' A' ' 17' ' ' TRP . 22.3 tptm -167.27 173.39 8.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.161 0.505 . . . . 0.0 111.122 179.573 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.711 ' H ' ' CD ' ' A' ' 16' ' ' LYS . 18.3 t90 -53.35 133.94 40.01 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.208 -0.906 . . . . 0.0 110.142 -178.71 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -163.23 162.99 25.61 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.123 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -56.81 -39.74 74.73 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.082 -178.671 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -66.77 -46.35 75.58 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.422 -0.511 . . . . 0.0 110.925 179.115 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.511 HD13 ' N ' ' A' ' 21' ' ' ILE . 4.4 mm -70.2 -57.71 7.35 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.346 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 -178.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.557 ' OE2' ' NE ' ' A' ' 26' ' ' ARG . 6.3 tm-20 -39.8 -49.91 2.37 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.995 0.426 . . . . 0.0 110.373 179.584 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -60.67 -47.37 86.56 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.531 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.795 ' CD1' HG13 ' A' ' 85' ' ' VAL . 71.8 mt -58.39 -40.1 81.46 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.14 -179.065 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 23.7 t80 -59.59 -49.64 76.98 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.389 178.606 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.557 ' NE ' ' OE2' ' A' ' 22' ' ' GLU . 92.8 mtt180 -61.24 -46.19 91.42 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.431 -179.144 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -62.71 -49.33 75.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.871 0.367 . . . . 0.0 110.831 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.514 ' NE2' ' O ' ' A' ' 84' ' ' LYS . 69.2 mt-30 -57.39 -41.66 80.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.147 -178.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 89.6 mm-40 -62.7 -40.25 96.56 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.448 178.662 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 62' ' ' ARG . . . -72.68 -20.52 61.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.81 0.338 . . . . 0.0 110.601 179.521 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 107.27 1.91 35.61 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.481 ' CE2' ' O ' ' A' ' 60' ' ' GLN . 16.5 m-85 -100.19 150.23 22.73 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.07 0.462 . . . . 0.0 110.155 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.28 -35.47 18.45 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.383 -179.466 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.429 ' OD1' ' OH ' ' A' ' 86' ' ' TYR . 2.3 p-10 -170.98 -178.71 2.56 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.684 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -48.85 -35.76 15.37 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.175 -178.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 77.8 mt -55.33 -49.04 75.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.948 -178.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -67.61 -41.73 83.53 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.876 -0.33 . . . . 0.0 110.992 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -59.5 -46.92 87.43 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.03 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.532 ' O ' ' N ' ' A' ' 43' ' ' GLN . 97.8 mttt -60.33 -41.78 94.27 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 120.643 -0.423 . . . . 0.0 111.382 -179.496 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -63.69 -42.75 97.97 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.957 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.48 HG21 ' CE1' ' A' ' 32' ' ' TYR . 72.5 t -61.74 -45.83 97.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.859 0.362 . . . . 0.0 111.283 -179.393 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.498 ' O ' HG13 ' A' ' 44' ' ' VAL . 68.7 mmtt -94.65 -0.33 54.49 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.609 -179.632 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.532 ' N ' ' O ' ' A' ' 39' ' ' LYS . 74.1 mm-40 50.52 51.49 16.76 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.526 -0.469 . . . . 0.0 110.838 179.604 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.498 HG13 ' O ' ' A' ' 42' ' ' LYS . 34.7 m -128.55 -177.1 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.312 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -135.62 20.39 3.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 -179.537 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.7 mtm -158.28 142.75 16.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.494 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.1 t -115.01 134.36 58.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -68.88 135.49 51.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.745 0.307 . . . . 0.0 110.658 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.692 HH12 HG22 ' A' ' 56' ' ' VAL . 85.6 mtt-85 -145.37 169.13 18.9 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.731 -0.387 . . . . 0.0 110.232 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.507 ' O ' ' N ' ' A' ' 54' ' ' GLY . 68.0 m95 -95.89 139.47 21.85 Favored Pre-proline 0 C--O 1.221 -0.422 0 C-N-CA 120.194 -0.603 . . . . 0.0 111.068 179.71 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -64.95 -31.48 56.17 Favored 'Trans proline' 0 N--CA 1.497 1.717 0 C-N-CA 121.925 1.75 . . . . 0.0 113.084 -179.608 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -58.51 -51.04 71.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.034 -177.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 66.8 p -118.26 -30.67 5.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.614 -178.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 50' ' ' TRP . . . 87.64 20.5 50.94 Favored Glycine 0 C--O 1.224 -0.5 0 C-N-CA 119.921 -1.133 . . . . 0.0 111.097 -179.081 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.5 ' OH ' ' CH2' ' A' ' 17' ' ' TRP . 29.4 m-85 -82.47 164.01 21.21 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.159 -0.616 . . . . 0.0 110.774 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.692 HG22 HH12 ' A' ' 49' ' ' ARG . 64.8 t -58.85 125.6 15.13 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.464 -179.255 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.3 tptm -76.17 -53.55 8.12 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.719 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -143.56 145.47 32.56 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.391 -179.028 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.468 HD13 HG11 ' A' ' 56' ' ' VAL . 4.6 tp -146.17 128.41 15.75 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.083 179.732 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.481 ' O ' ' CE2' ' A' ' 32' ' ' TYR . 32.7 tt0 -81.46 135.16 35.62 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.907 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.5 mtm180 -77.09 164.81 25.35 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.785 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.495 ' N ' ' O ' ' A' ' 30' ' ' ALA . 14.0 mtt180 -64.25 -6.48 6.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.995 179.508 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -98.68 8.3 45.1 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.119 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 75.99 -4.12 2.43 Favored 'General case' 0 CA--C 1.522 -0.134 0 CA-C-O 120.846 0.355 . . . . 0.0 110.638 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 24.1 p -78.21 129.59 35.29 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.01 179.328 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -74.86 127.33 32.94 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.138 -179.535 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -122.64 112.27 17.77 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.164 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -83.35 136.71 34.25 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.197 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -105.63 151.89 23.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.542 179.612 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -103.23 124.21 48.2 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.374 179.334 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.8 pttm -49.04 -37.35 20.58 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.186 -0.605 . . . . 0.0 110.308 179.217 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.43 ' O ' ' C ' ' A' ' 73' ' ' ARG . 5.8 mt-10 -84.45 45.75 1.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.626 -0.429 . . . . 0.0 109.94 178.809 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.462 ' CG ' HH21 ' A' ' 26' ' ' ARG . 0.0 OUTLIER -33.56 146.89 0.02 OUTLIER 'General case' 0 C--O 1.231 0.122 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.275 -179.874 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -104.14 34.4 3.07 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.375 -0.829 . . . . 0.0 110.048 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.508 ' SG ' ' OE1' ' A' ' 79' ' ' GLU . 83.4 m -88.21 137.76 32.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.555 179.395 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -130.35 173.41 10.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.748 -179.614 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.519 ' OD1' ' N ' ' A' ' 78' ' ' LYS . 44.1 p30 -47.49 -26.48 1.4 Allowed 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.676 -179.54 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.519 ' N ' ' OD1' ' A' ' 77' ' ' ASP . 38.8 ttpt -62.26 -39.19 92.07 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.119 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.775 ' O ' HG23 ' A' ' 83' ' ' VAL . 98.4 mt-10 -81.38 -33.24 32.45 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.521 -0.472 . . . . 0.0 110.617 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.614 HG21 ' N ' ' A' ' 17' ' ' TRP . 50.2 t -58.5 -47.9 86.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 C-N-CA 120.283 -0.567 . . . . 0.0 109.789 179.607 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 48.2 t-80 -60.83 -44.87 96.36 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.502 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 36.7 mtmt -72.89 -26.96 61.62 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.956 179.247 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.775 HG23 ' O ' ' A' ' 79' ' ' GLU . 54.0 t -76.69 134.64 28.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.286 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.514 ' O ' ' NE2' ' A' ' 28' ' ' GLN . 53.9 pttt -104.41 141.65 35.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.084 179.354 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.795 HG13 ' CD1' ' A' ' 24' ' ' LEU . 19.0 t -106.39 119.07 55.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 -179.42 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.539 ' O ' ' CD1' ' A' ' 86' ' ' TYR . 0.7 OUTLIER -89.35 140.85 29.09 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.707 -179.554 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 5.8 m -127.88 131.7 69.46 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.132 0 CA-C-O 121.17 0.51 . . . . 0.0 110.667 179.577 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 14.7 p90 . . . . . 0 C--O 1.219 -0.541 0 CA-C-O 118.047 -0.978 . . . . 0.0 110.62 179.978 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.367 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 83.5 p -70.59 159.5 34.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.889 0.376 . . . . 0.0 110.574 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 63.3 t-80 -61.55 -46.34 90.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.687 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 2.9 mtt -80.77 177.24 9.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.6 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.8 ttm 61.67 129.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.536 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -60.07 146.82 41.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.611 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.625 ' O ' HG23 ' A' ' 6' ' ' VAL . 65.5 p -56.6 107.16 0.36 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.466 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.2 m 54.91 19.09 2.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.48 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 46.45 45.78 13.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.36 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 3' ' ' THR . 90.8 t -55.7 128.77 16.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.25 -179.417 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -117.44 152.17 49.07 Favored Pre-proline 0 CA--C 1.533 0.313 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.558 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -45.18 156.83 0.27 Allowed 'Trans proline' 0 N--CA 1.491 1.332 0 C-N-CA 122.51 2.14 . . . . 0.0 112.301 179.408 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 18.0 tttt -92.17 -27.34 17.76 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.398 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -172.56 -179.7 2.25 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.016 -179.631 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.8 mp -135.27 130.93 51.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.692 179.656 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.3 m -122.44 177.13 5.53 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.446 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.28 134.29 55.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.056 -179.596 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -48.35 154.54 0.6 Allowed 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.023 -179.426 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.14 -44.87 4.66 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 120.644 -0.422 . . . . 0.0 111.385 -179.352 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.6 tptt -141.78 -177.28 5.12 Favored 'General case' 0 C--O 1.22 -0.468 0 C-N-CA 120.436 -0.505 . . . . 0.0 110.541 -179.381 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.645 ' CZ2' ' N ' ' A' ' 75' ' ' CYS . 15.7 t90 -90.59 119.62 31.0 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 120.336 -0.545 . . . . 0.0 111.47 -178.787 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 42.3 t -157.94 156.86 32.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.829 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.839 ' N ' HH21 ' A' ' 73' ' ' ARG . 0.7 OUTLIER -45.93 -27.51 0.91 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.099 -179.672 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -66.59 -50.08 64.22 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.201 0.524 . . . . 0.0 110.134 179.348 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.408 ' O ' ' C ' ' A' ' 22' ' ' GLU . 19.4 mm -71.51 -58.5 5.03 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.499 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.074 -179.578 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.474 ' OE2' ' SG ' ' A' ' 75' ' ' CYS . 6.3 tp10 -43.17 -48.47 6.44 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.381 -0.528 . . . . 0.0 109.621 -178.642 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.402 ' ND2' ' C ' ' A' ' 23' ' ' ASN . 1.1 t30 -61.23 -48.3 82.12 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.771 179.337 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.704 HD13 HG13 ' A' ' 85' ' ' VAL . 31.6 mt -57.06 -36.01 70.02 Favored 'General case' 0 C--O 1.221 -0.426 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 -178.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -59.52 -47.49 85.31 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.579 -0.448 . . . . 0.0 109.898 178.224 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.511 ' NH2' ' O ' ' A' ' 70' ' ' ASN . 86.2 mtt180 -61.09 -49.83 75.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.471 -179.716 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.454 ' CE2' HG21 ' A' ' 56' ' ' VAL . 22.0 m-85 -63.29 -48.48 77.96 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 120.893 0.378 . . . . 0.0 110.672 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.589 ' NE2' ' O ' ' A' ' 84' ' ' LYS . 73.3 mt-30 -57.37 -41.24 79.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.319 -179.678 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 50.7 mm-40 -58.75 -39.53 81.24 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.568 -0.453 . . . . 0.0 109.992 178.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.88 -14.95 62.58 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.073 179.318 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 103.52 1.53 46.91 Favored Glycine 0 CA--C 1.528 0.892 0 N-CA-C 111.402 -0.679 . . . . 0.0 111.402 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.49 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 12.5 m-85 -99.02 145.88 26.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.962 0.41 . . . . 0.0 110.204 -179.145 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.682 ' HE ' ' N ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -79.47 -37.97 35.6 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.496 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -161.75 170.88 18.81 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.657 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -50.39 -25.78 4.26 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.153 -179.25 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 95.3 mt -59.87 -48.85 86.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.914 -179.48 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -64.54 -40.71 96.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.91 0.385 . . . . 0.0 110.471 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.506 ' CD1' HD11 ' A' ' 59' ' ' LEU . 55.1 t80 -60.13 -46.92 88.0 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.427 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.559 ' O ' ' N ' ' A' ' 43' ' ' GLN . 97.8 mttt -61.48 -39.0 89.32 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.554 -0.293 . . . . 0.0 111.471 -179.47 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -61.38 -46.03 91.86 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.86 0.362 . . . . 0.0 110.804 -179.645 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.0 t -62.37 -41.21 90.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.041 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.519 ' O ' HG13 ' A' ' 44' ' ' VAL . 72.2 mmtt -91.72 -7.0 50.98 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.606 -179.579 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.559 ' N ' ' O ' ' A' ' 39' ' ' LYS . 77.1 mm-40 51.74 50.23 19.14 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.631 -0.428 . . . . 0.0 111.041 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.519 HG13 ' O ' ' A' ' 42' ' ' LYS . 30.3 m -129.5 -173.49 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.364 179.754 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -138.85 32.38 2.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.859 -179.568 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 16.4 ptm -162.19 149.92 14.3 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.762 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 10.8 t -128.97 136.66 59.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -64.43 128.93 37.91 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.867 0.365 . . . . 0.0 110.55 -179.661 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -143.68 166.54 24.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.645 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 81.1 m95 -99.9 142.34 24.43 Favored Pre-proline 0 CA--C 1.534 0.359 0 C-N-CA 120.279 -0.568 . . . . 0.0 110.874 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -65.82 -36.34 32.07 Favored 'Trans proline' 0 N--CA 1.497 1.697 0 C-N-CA 122.274 1.983 . . . . 0.0 112.897 -179.23 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -41.34 -48.3 3.65 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.606 -178.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.5 ' OG1' ' CD2' ' A' ' 55' ' ' TYR . 13.0 p -135.31 -36.64 0.8 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.4 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 102.15 34.74 4.15 Favored Glycine 0 CA--C 1.524 0.613 0 C-N-CA 120.885 -0.674 . . . . 0.0 111.88 -179.469 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.525 ' CZ ' ' HG3' ' A' ' 73' ' ' ARG . 54.7 m-85 -91.72 165.63 13.19 Favored 'General case' 0 C--O 1.237 0.426 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 178.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.454 HG21 ' CE2' ' A' ' 27' ' ' PHE . 59.6 t -63.07 119.78 7.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.07 -178.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 75.5 tttt -74.03 -49.64 23.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.121 179.13 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 61.0 pttt -150.07 154.08 37.52 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.608 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.616 HD13 ' H ' ' A' ' 60' ' ' GLN . 0.1 OUTLIER -151.26 135.21 16.57 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-O 121.154 0.502 . . . . 0.0 110.622 -179.795 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.616 ' H ' HD13 ' A' ' 59' ' ' LEU . 40.9 tt0 -77.67 136.3 38.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.718 -0.673 . . . . 0.0 109.545 179.597 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 54.1 mtm180 -81.36 172.36 13.66 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.13 0.49 . . . . 0.0 111.184 -179.202 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 9.5 mmt-85 -70.25 -11.1 60.67 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.113 -0.948 . . . . 0.0 110.128 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.428 ' O ' ' CB ' ' A' ' 64' ' ' ASN . 96.7 m-20 -96.81 4.67 51.6 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.95 -179.755 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.428 ' CB ' ' O ' ' A' ' 63' ' ' ASP . 2.2 m-20 80.63 0.65 1.87 Allowed 'General case' 0 C--N 1.341 0.234 0 CA-C-O 120.776 0.322 . . . . 0.0 110.668 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 11.6 p -86.66 132.51 33.86 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.176 179.477 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -80.19 133.01 35.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.525 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -128.83 119.64 24.85 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.826 0.346 . . . . 0.0 110.17 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -82.41 136.26 34.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.605 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -106.43 163.81 12.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.825 179.738 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.591 ' ND2' ' O ' ' A' ' 70' ' ' ASN . 0.0 OUTLIER -96.83 133.12 41.84 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.825 -179.804 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 22.7 pttt -71.75 -21.41 61.75 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.408 0.623 . . . . 0.0 110.542 179.253 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.53 147.2 47.95 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.373 -0.531 . . . . 0.0 109.924 -179.193 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.839 HH21 ' N ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -109.69 108.57 19.0 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-O 121.181 0.515 . . . . 0.0 110.817 -179.533 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -134.54 30.09 3.52 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.084 179.204 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.645 ' N ' ' CZ2' ' A' ' 17' ' ' TRP . 0.0 OUTLIER -74.16 142.53 45.47 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 119.989 -0.684 . . . . 0.0 110.368 178.76 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.445 ' C ' ' N ' ' A' ' 78' ' ' LYS . 13.9 mm-40 -119.88 165.82 14.11 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.035 0.445 . . . . 0.0 110.869 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -49.56 -16.9 0.25 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.822 -179.286 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.445 ' N ' ' C ' ' A' ' 76' ' ' GLU . 0.0 OUTLIER -65.49 -35.17 80.1 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-O 121.129 0.49 . . . . 0.0 110.397 178.954 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.72 ' O ' HG23 ' A' ' 83' ' ' VAL . 1.5 tp10 -81.14 -38.02 27.86 Favored 'General case' 0 C--O 1.222 -0.374 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 66.5 t -58.01 -39.3 71.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 C-N-CA 120.347 -0.541 . . . . 0.0 110.472 179.473 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 64.2 m170 -70.99 -43.01 68.89 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -178.646 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.77 -20.95 34.88 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 120.726 -0.39 . . . . 0.0 111.18 -179.033 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.72 HG23 ' O ' ' A' ' 79' ' ' GLU . 44.1 t -74.47 130.8 35.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.37 0.605 . . . . 0.0 111.465 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.589 ' O ' ' NE2' ' A' ' 28' ' ' GLN . 21.3 pttm -114.87 128.5 56.33 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.032 179.307 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.704 HG13 HD13 ' A' ' 24' ' ' LEU . 20.6 t -108.31 130.83 60.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.929 0.395 . . . . 0.0 110.958 -178.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.439 ' O ' ' CD1' ' A' ' 86' ' ' TYR . 0.3 OUTLIER -83.34 157.99 22.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.009 -179.831 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.419 ' O ' HG13 ' A' ' 87' ' ' VAL . 4.0 p -127.04 131.23 71.07 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 CA-C-O 121.072 0.463 . . . . 0.0 110.173 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 9.3 p90 . . . . . 0 C--O 1.219 -0.514 0 CA-C-O 117.87 -1.062 . . . . 0.0 110.364 -179.842 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' -3' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' -2' ' ' SER . . . . . . . . 0 N--CA 1.491 2.33 0 N-CA-C 109.481 -1.448 . . . . 0.0 109.481 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -2' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' -3' ' ' GLY . 0.0 OUTLIER 53.65 171.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.827 0.346 . . . . 0.0 110.525 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 34.2 p80 -156.29 162.71 40.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.428 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 11.8 mtt -117.97 160.17 21.92 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.612 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.0 ptt? -158.52 159.6 35.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.609 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -58.23 143.89 42.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.527 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 61.6 p -77.28 162.62 27.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.525 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 82.4 p -79.63 -12.51 59.82 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.693 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -93.0 92.0 7.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.463 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 81.3 t -117.57 120.79 65.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.292 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -73.9 148.77 87.34 Favored Pre-proline 0 C--N 1.324 -0.5 0 C-N-CA 120.337 -0.545 . . . . 0.0 111.017 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -68.53 152.94 74.63 Favored 'Trans proline' 0 N--CA 1.495 1.599 0 C-N-CA 122.373 2.049 . . . . 0.0 112.47 179.141 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -105.49 -32.69 8.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.593 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 45.3 m -159.63 165.59 32.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.687 179.658 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.5 mp -133.54 134.81 56.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.643 179.417 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 41.2 t -122.74 176.22 6.08 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.397 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? -113.21 129.74 56.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.507 -179.709 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.463 ' HB2' HD12 ' A' ' 21' ' ' ILE . . . -65.45 150.63 48.03 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.811 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -115.36 13.6 16.61 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 179.733 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.711 ' CD ' ' H ' ' A' ' 17' ' ' TRP . 55.6 tptt -172.43 172.71 4.31 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.039 177.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.711 ' H ' ' CD ' ' A' ' 16' ' ' LYS . 59.5 t90 -97.33 123.88 41.28 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.41 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.41 ' O ' ' N ' ' A' ' 21' ' ' ILE . 93.7 p -152.68 155.46 37.31 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.067 179.099 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -44.96 -25.32 0.3 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.225 -179.243 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -69.64 -42.38 74.36 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 179.083 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.463 HD12 ' HB2' ' A' ' 14' ' ' ALA . 19.0 mm -73.03 -58.84 4.13 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.468 0 C-N-CA 120.678 -0.409 . . . . 0.0 110.01 -179.342 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.479 ' CD ' ' NE ' ' A' ' 73' ' ' ARG . 35.0 tp10 -47.23 -48.3 24.34 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.219 -0.592 . . . . 0.0 110.539 -178.268 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -56.67 -47.71 79.23 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.6 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.621 ' CD1' HG13 ' A' ' 85' ' ' VAL . 73.5 mt -59.92 -40.16 87.9 Favored 'General case' 0 CA--C 1.511 -0.548 0 C-N-CA 120.309 -0.557 . . . . 0.0 110.152 -179.749 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -60.76 -49.0 79.25 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.171 -0.611 . . . . 0.0 110.169 178.616 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.474 HH21 ' HE ' ' A' ' 73' ' ' ARG . 96.6 mtt180 -61.43 -45.72 93.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.231 -179.496 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -63.69 -49.13 74.34 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.98 0.419 . . . . 0.0 110.484 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -58.62 -39.79 81.49 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.1 -179.668 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -60.55 -42.77 97.26 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.645 -0.422 . . . . 0.0 109.909 178.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.527 ' HB1' ' HA ' ' A' ' 61' ' ' ARG . . . -73.2 -16.24 61.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.351 179.44 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 100.47 3.31 55.38 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 111.515 -0.634 . . . . 0.0 111.515 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.533 ' CE2' ' O ' ' A' ' 60' ' ' GLN . 11.2 m-30 -94.02 146.42 23.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.459 0.647 . . . . 0.0 110.109 -179.609 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.635 ' N ' ' NE ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -79.91 -42.07 24.84 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.437 -178.642 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.508 ' CG ' ' H ' ' A' ' 35' ' ' GLU . 18.7 t70 -170.45 179.8 3.24 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.698 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.508 ' H ' ' CG ' ' A' ' 34' ' ' ASP . 99.1 mt-10 -46.3 -27.83 1.14 Allowed 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.502 -179.259 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 90.2 mt -58.63 -48.65 85.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.992 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.55 ' O ' HG23 ' A' ' 41' ' ' VAL . 50.2 tp10 -67.56 -42.84 81.95 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.323 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -59.08 -46.84 87.26 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.415 -0.514 . . . . 0.0 111.122 -178.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.571 ' HZ1' HG23 ' A' ' 47' ' ' VAL . 60.8 mttp -61.38 -39.63 91.36 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.859 0.362 . . . . 0.0 110.853 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -62.55 -42.58 99.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.601 179.752 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 37' ' ' GLU . 67.1 t -64.08 -43.68 97.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 120.81 0.338 . . . . 0.0 110.628 -179.328 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.467 ' N ' ' CD ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -91.11 -4.34 56.31 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.539 -179.58 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.53 ' N ' ' O ' ' A' ' 39' ' ' LYS . 14.5 mm100 52.41 48.12 23.28 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.613 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 23.5 m -123.5 -172.23 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.417 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -133.91 20.56 3.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.817 -179.391 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.437 ' SD ' ' C ' ' A' ' 46' ' ' MET . 4.1 ppp? -158.62 152.79 23.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.726 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.571 HG23 ' HZ1' ' A' ' 39' ' ' LYS . 19.4 t -111.07 136.9 45.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.204 -179.685 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -75.52 124.03 26.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.502 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.547 ' NE ' ' O ' ' A' ' 54' ' ' GLY . 29.4 mtp180 -143.56 169.92 16.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.733 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.429 ' O ' ' N ' ' A' ' 54' ' ' GLY . 89.0 m95 -96.32 143.21 25.72 Favored Pre-proline 0 C--O 1.219 -0.506 0 C-N-CA 120.363 -0.535 . . . . 0.0 111.23 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -66.41 -27.76 46.9 Favored 'Trans proline' 0 N--CA 1.497 1.697 0 C-N-CA 122.09 1.86 . . . . 0.0 112.579 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -53.63 -53.59 49.73 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.936 -178.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.52 ' OG1' ' CD2' ' A' ' 55' ' ' TYR . 76.3 p -124.96 -27.6 3.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.287 -179.717 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.547 ' O ' ' NE ' ' A' ' 49' ' ' ARG . . . 93.87 19.21 34.8 Favored Glycine 0 CA--C 1.521 0.442 0 C-N-CA 120.174 -1.013 . . . . 0.0 111.317 -179.41 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.52 ' CD2' ' OG1' ' A' ' 53' ' ' THR . 27.4 m-85 -82.56 153.59 25.44 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.503 -0.479 . . . . 0.0 110.942 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.933 HG11 HD13 ' A' ' 59' ' ' LEU . 32.7 t -57.26 125.62 13.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.984 -178.677 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.421 ' CD ' ' CZ2' ' A' ' 50' ' ' TRP . 25.8 ttpp -75.32 -48.62 22.26 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.074 179.707 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -144.81 146.72 32.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.197 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.933 HD13 HG11 ' A' ' 56' ' ' VAL . 4.6 tp -144.66 133.13 21.97 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.183 179.722 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.533 ' O ' ' CE2' ' A' ' 32' ' ' TYR . 21.9 tt0 -84.76 132.66 34.41 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.124 0.487 . . . . 0.0 111.146 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.527 ' HA ' ' HB1' ' A' ' 30' ' ' ALA . 14.3 mtm180 -76.92 170.44 16.49 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.791 -179.468 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 17.9 ttt180 -67.87 -7.65 29.86 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.943 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -99.25 8.75 44.49 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.179 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 76.6 -4.77 2.3 Favored 'General case' 0 CA--C 1.521 -0.151 0 CA-C-O 120.907 0.384 . . . . 0.0 110.586 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 19.0 p -78.52 128.92 34.23 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.414 179.549 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -75.09 126.93 32.05 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.301 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -119.44 115.58 24.37 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.219 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 -82.52 137.48 34.59 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.431 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -108.86 152.87 24.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.751 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -97.49 134.75 40.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.866 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.9 pttp -76.22 -28.65 57.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.163 0.506 . . . . 0.0 110.27 179.452 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -71.65 56.96 0.28 Allowed 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.192 -0.603 . . . . 0.0 110.242 179.316 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.479 ' NE ' ' CD ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -37.18 135.03 0.53 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.617 -179.314 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -131.46 40.9 3.37 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.717 179.49 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.524 ' SG ' ' CD1' ' A' ' 17' ' ' TRP . 0.0 OUTLIER -89.76 145.7 25.01 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.619 179.498 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.453 ' N ' ' SG ' ' A' ' 75' ' ' CYS . 76.3 mm-40 -129.86 173.66 10.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.577 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.484 ' OD1' ' N ' ' A' ' 78' ' ' LYS . 51.4 p-10 -48.6 -23.2 0.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.297 -179.063 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.484 ' N ' ' OD1' ' A' ' 77' ' ' ASP . 56.3 mtmt -64.28 -36.82 85.35 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.755 178.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.499 ' O ' HG23 ' A' ' 83' ' ' VAL . 76.7 mm-40 -81.1 -32.31 33.92 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.52 179.769 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.557 HG11 ' N ' ' A' ' 16' ' ' LYS . 53.6 t -56.84 -45.09 83.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 -179.66 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -69.67 -40.85 76.18 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.149 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.77 -28.8 64.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.787 0.327 . . . . 0.0 110.97 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 79' ' ' GLU . 90.1 t -89.02 137.22 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 26.3 mttm -110.32 161.33 15.73 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.28 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.621 HG13 ' CD1' ' A' ' 24' ' ' LEU . 2.6 t -118.48 125.17 74.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-O 120.845 0.355 . . . . 0.0 110.173 -179.727 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.599 ' O ' ' CD1' ' A' ' 86' ' ' TYR . 0.2 OUTLIER -90.03 144.02 26.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.818 -179.524 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.2 m -130.14 121.03 50.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.147 0.499 . . . . 0.0 110.8 179.608 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 44.0 p90 . . . . . 0 C--O 1.219 -0.525 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.338 179.871 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.249 0 N-CA-C 109.49 -1.444 . . . . 0.0 109.49 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 66.5 m -67.81 146.15 53.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.906 0.384 . . . . 0.0 110.678 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 30.4 t60 49.39 37.42 11.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.626 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 13.2 mtp -139.65 -171.93 3.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.427 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.4 mmm -129.11 150.38 50.52 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-O 121.44 0.638 . . . . 0.0 110.652 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.442 ' O ' ' CB ' ' A' ' 3' ' ' THR . . . -57.3 140.8 48.95 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.446 -179.74 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.442 ' CB ' ' O ' ' A' ' 2' ' ' ALA . 0.3 OUTLIER 78.48 -36.94 0.2 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.576 -179.908 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.2 m -70.13 -28.54 65.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.527 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 57.9 p30 -94.48 16.73 14.57 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.937 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 59.8 t -105.54 125.54 60.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.985 0.421 . . . . 0.0 110.407 -179.615 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -108.01 158.98 32.18 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.69 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -54.8 155.05 18.91 Favored 'Trans proline' 0 C--N 1.306 -1.7 0 C-N-CA 122.878 2.385 . . . . 0.0 112.145 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 33.6 tptt -87.96 -42.89 12.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.733 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 49.6 m -162.27 171.26 17.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.062 0.458 . . . . 0.0 110.679 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.1 mp -130.87 128.69 63.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.333 179.455 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.7 m -123.34 178.42 5.15 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.364 -179.624 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.48 135.47 53.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.838 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.569 ' HB2' HD12 ' A' ' 21' ' ' ILE . . . -66.28 152.87 44.02 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.728 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.2 ttpm? -95.19 -40.64 9.48 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 120.784 0.326 . . . . 0.0 111.0 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -147.29 150.36 34.64 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.616 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.464 ' N ' HG21 ' A' ' 80' ' ' VAL . 53.4 t90 -53.28 135.69 38.13 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.53 -179.629 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 m -163.33 161.49 24.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.538 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -46.7 -35.36 5.98 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.403 -179.612 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -66.65 -43.76 83.74 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.354 179.299 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.569 HD12 ' HB2' ' A' ' 14' ' ' ALA . 4.6 mm -71.02 -59.18 3.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 -179.411 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.411 ' CD ' ' N ' ' A' ' 23' ' ' ASN . 3.5 tm-20 -40.33 -51.49 2.77 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 123.418 0.449 . . . . 0.0 110.609 -179.056 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.411 ' N ' ' CD ' ' A' ' 22' ' ' GLU . 13.0 t-20 -60.22 -49.25 78.36 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.335 -179.581 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.813 ' CD1' HG13 ' A' ' 85' ' ' VAL . 76.9 mt -58.2 -41.45 84.03 Favored 'General case' 0 CA--C 1.512 -0.493 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.295 -179.336 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -58.83 -49.61 77.07 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.222 178.772 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.535 ' NH1' ' O ' ' A' ' 56' ' ' VAL . 94.6 mtt180 -61.3 -46.11 91.66 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-O 121.421 0.629 . . . . 0.0 109.869 -179.688 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.428 ' CE2' ' C ' ' A' ' 34' ' ' ASP . 7.8 m-85 -63.35 -50.26 70.65 Favored 'General case' 0 C--N 1.321 -0.655 0 O-C-N 121.63 -0.669 . . . . 0.0 110.883 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -57.67 -47.28 82.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.829 -179.44 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.479 ' HG3' ' O ' ' A' ' 26' ' ' ARG . 1.9 pp0? -62.48 -23.61 67.02 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.112 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.36 -16.87 31.85 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.988 -179.697 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 101.46 0.92 53.47 Favored Glycine 0 CA--C 1.528 0.897 0 N-CA-C 111.445 -0.662 . . . . 0.0 111.445 -179.426 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.525 ' CE1' ' O ' ' A' ' 60' ' ' GLN . 2.8 m-85 -97.56 148.54 23.16 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 -178.762 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.542 ' NH1' HH12 ' A' ' 62' ' ' ARG . 0.0 OUTLIER -83.13 -40.56 19.61 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.737 -179.8 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.576 ' OD2' HD12 ' A' ' 36' ' ' ILE . 10.1 p-10 -169.97 179.31 3.64 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.384 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.487 ' HB3' ' HZ3' ' A' ' 39' ' ' LYS . 96.0 mt-10 -45.75 -31.35 1.97 Allowed 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.785 -179.081 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.576 HD12 ' OD2' ' A' ' 34' ' ' ASP . 86.7 mt -56.54 -48.13 80.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 C-N-CA 120.672 -0.411 . . . . 0.0 111.315 -179.176 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -68.35 -41.4 80.74 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.884 -0.327 . . . . 0.0 111.145 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.591 ' CD2' HD21 ' A' ' 59' ' ' LEU . 1.9 t80 -57.27 -50.14 73.86 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 119.979 -0.688 . . . . 0.0 111.003 -178.132 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.556 ' O ' ' N ' ' A' ' 43' ' ' GLN . 63.4 mttp -62.94 -40.89 99.04 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.527 -179.084 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -61.34 -45.32 94.89 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.394 -179.229 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.437 HG21 ' CE2' ' A' ' 32' ' ' TYR . 49.0 t -59.56 -44.0 92.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.577 -179.439 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.431 ' O ' HG13 ' A' ' 44' ' ' VAL . 19.5 mmtp -97.66 1.08 48.26 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.127 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.556 ' N ' ' O ' ' A' ' 39' ' ' LYS . 90.7 mt-30 47.57 50.55 14.9 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.959 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.431 HG13 ' O ' ' A' ' 42' ' ' LYS . 18.7 m -119.2 -170.32 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.366 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -146.51 31.27 0.99 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.714 -179.532 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 21.9 ptt? -162.05 145.04 11.75 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.692 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.509 HG13 ' HE2' ' A' ' 38' ' ' TYR . 39.5 t -118.79 131.02 72.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.236 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -71.84 127.39 32.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.457 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.467 ' CZ ' ' O ' ' A' ' 54' ' ' GLY . 33.1 mtp180 -142.72 167.05 23.01 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.411 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.524 ' O ' ' N ' ' A' ' 54' ' ' GLY . 77.0 m95 -97.79 138.5 21.03 Favored Pre-proline 0 C--O 1.217 -0.651 0 C-N-CA 120.119 -0.632 . . . . 0.0 110.801 -179.582 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -64.65 -27.58 60.82 Favored 'Trans proline' 0 C--N 1.303 -1.833 0 C-N-CA 122.439 2.093 . . . . 0.0 112.579 -179.172 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -55.07 -51.85 65.06 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.737 -178.642 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.445 ' HG1' ' HD2' ' A' ' 55' ' ' TYR . 20.1 p -122.72 -28.72 4.12 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.012 179.478 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 50' ' ' TRP . . . 89.5 22.18 38.08 Favored Glycine 0 N--CA 1.463 0.441 0 C-N-CA 120.605 -0.807 . . . . 0.0 111.516 -179.819 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.445 ' HD2' ' HG1' ' A' ' 53' ' ' THR . 30.2 m-85 -82.59 157.87 23.28 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.936 -0.305 . . . . 0.0 110.774 179.649 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.535 ' O ' ' NH1' ' A' ' 26' ' ' ARG . 57.4 t -56.23 125.34 11.6 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.132 -179.291 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 33.0 tttm -73.63 -46.93 43.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.128 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 61.5 pttt -154.34 153.53 31.81 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.027 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.64 HD13 ' N ' ' A' ' 60' ' ' GLN . 0.2 OUTLIER -148.14 130.95 16.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.932 179.617 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.64 ' N ' HD13 ' A' ' 59' ' ' LEU . 30.6 tt0 -78.28 133.81 37.61 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.048 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 21.8 mtm180 -76.9 166.83 22.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.064 -179.424 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.542 HH12 ' NH1' ' A' ' 33' ' ' ARG . 11.8 ttt180 -67.0 -7.46 22.66 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.368 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -98.78 7.79 45.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.925 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 72.36 36.33 1.06 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.597 0.237 . . . . 0.0 111.227 179.643 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 32.2 p -120.49 130.7 54.39 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.071 179.561 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -79.42 123.05 27.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.554 -179.669 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -119.19 123.25 43.88 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.341 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -88.98 132.91 34.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.434 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.452 ' OH ' ' NE2' ' A' ' 29' ' ' GLN . 73.9 m-85 -103.15 157.73 16.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.843 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.458 HD21 ' HB2' ' A' ' 72' ' ' GLU . 5.5 t30 -99.06 118.93 36.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.997 179.422 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.1 pttm -55.19 -32.02 61.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.996 0.427 . . . . 0.0 110.625 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.458 ' HB2' HD21 ' A' ' 70' ' ' ASN . 99.2 mt-10 -82.52 57.66 3.81 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 179.562 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.515 ' HG2' HH21 ' A' ' 26' ' ' ARG . 0.0 OUTLIER -31.69 136.47 0.06 Allowed 'General case' 0 C--O 1.231 0.096 0 O-C-N 123.666 0.604 . . . . 0.0 111.091 -179.583 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -118.01 34.75 5.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.811 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.442 ' SG ' ' CD1' ' A' ' 17' ' ' TRP . 0.0 OUTLIER -89.73 147.97 23.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.388 179.694 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.429 ' N ' ' SG ' ' A' ' 75' ' ' CYS . 99.0 mt-10 -129.65 173.7 10.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.735 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.43 ' OD1' ' ND1' ' A' ' 81' ' ' HIS . 60.7 t0 -45.71 -23.41 0.25 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.288 -179.576 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.4 ttpp -67.64 -33.03 74.15 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.951 179.405 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.699 ' O ' HG23 ' A' ' 83' ' ' VAL . 1.8 mp0 -81.4 -35.21 31.0 Favored 'General case' 0 C--O 1.219 -0.541 0 CA-C-O 121.153 0.501 . . . . 0.0 110.666 179.757 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.464 HG21 ' N ' ' A' ' 17' ' ' TRP . 33.7 t -61.58 -43.28 96.72 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 C-N-CA 120.246 -0.582 . . . . 0.0 110.112 -179.364 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.43 ' ND1' ' OD1' ' A' ' 77' ' ' ASP . 35.2 m80 -66.51 -44.12 83.4 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.48 -21.86 55.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.951 0.405 . . . . 0.0 111.186 179.723 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.699 HG23 ' O ' ' A' ' 79' ' ' GLU . 54.6 t -82.35 136.55 22.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.136 179.287 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -106.36 157.87 17.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.177 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.813 HG13 ' CD1' ' A' ' 24' ' ' LEU . 31.6 t -127.15 120.28 54.91 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.135 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -87.05 147.84 25.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.808 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.459 ' O ' HG13 ' A' ' 87' ' ' VAL . 5.0 p -128.75 129.14 68.36 Favored 'Isoleucine or valine' 0 C--O 1.232 0.173 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.462 179.708 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 7.5 p90 . . . . . 0 C--O 1.219 -0.536 0 CA-C-O 118.079 -0.963 . . . . 0.0 110.462 179.73 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.272 0 N-CA-C 109.549 -1.421 . . . . 0.0 109.549 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 40.2 t -62.45 141.25 58.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.712 0.292 . . . . 0.0 110.482 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -60.05 -45.82 91.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.525 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 2.7 ttm -137.34 -78.91 0.39 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.58 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.4 tpt -155.02 128.91 8.71 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.422 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -77.62 146.52 36.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.655 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 67.4 p -70.7 -27.54 64.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.48 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.4 t 62.3 68.62 0.66 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.709 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 57.0 p30 -78.82 166.05 22.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.44 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 76.6 t -119.57 122.58 69.22 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.675 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -88.32 155.48 51.62 Favored Pre-proline 0 N--CA 1.448 -0.53 0 C-N-CA 120.564 -0.454 . . . . 0.0 110.606 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_exo -55.47 156.46 17.64 Favored 'Trans proline' 0 N--CA 1.494 1.513 0 C-N-CA 122.728 2.285 . . . . 0.0 112.255 179.123 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.8 ttpp -84.55 -33.28 23.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.405 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.5 m -171.58 177.71 3.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.737 -179.291 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.7 mp -133.99 131.7 55.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.007 179.629 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.6 t -124.37 -179.7 4.57 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.522 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 -114.82 134.23 55.3 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.064 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.52 152.1 26.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.533 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.447 ' C ' HG11 ' A' ' 80' ' ' VAL . 69.4 mttt -100.64 -42.98 6.31 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.808 -179.013 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -147.41 150.34 34.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.715 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.741 ' CD2' ' NH1' ' A' ' 73' ' ' ARG . 61.0 t90 -52.73 135.62 34.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.815 179.777 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -164.41 161.41 21.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.358 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -48.68 -37.47 18.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.513 -179.555 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -68.31 -43.94 76.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.855 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.403 ' N ' HD13 ' A' ' 21' ' ' ILE . 8.1 mm -70.94 -60.25 2.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.273 -179.603 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.51 ' OE1' ' CZ ' ' A' ' 55' ' ' TYR . 88.2 tt0 -40.46 -47.99 2.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.268 -179.383 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -61.33 -48.93 79.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.204 179.546 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.831 ' CD1' HG13 ' A' ' 85' ' ' VAL . 68.3 mt -58.42 -39.27 79.32 Favored 'General case' 0 CA--C 1.512 -0.506 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.739 -179.485 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.599 ' CD2' ' SG ' ' A' ' 75' ' ' CYS . 36.1 t80 -58.39 -50.02 75.17 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.263 178.564 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.519 ' NH2' ' O ' ' A' ' 70' ' ' ASN . 94.0 mtt180 -62.12 -45.58 92.86 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 -179.607 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -60.67 -51.78 67.91 Favored 'General case' 0 CA--C 1.527 0.09 0 CA-C-N 116.493 -0.322 . . . . 0.0 110.319 179.704 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.549 ' NE2' ' O ' ' A' ' 84' ' ' LYS . 65.1 mt-30 -56.16 -41.63 75.73 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.124 -179.583 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 52.3 mm-40 -60.59 -41.81 95.45 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.753 178.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.514 ' O ' ' N ' ' A' ' 62' ' ' ARG . . . -72.48 -18.4 61.68 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.907 0.384 . . . . 0.0 110.453 179.461 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.433 ' O ' ' NE ' ' A' ' 62' ' ' ARG . . . 105.56 0.22 40.01 Favored Glycine 0 CA--C 1.527 0.817 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.535 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.529 ' CE2' ' O ' ' A' ' 60' ' ' GLN . 13.4 m-85 -95.74 148.88 22.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.078 0.466 . . . . 0.0 110.66 179.729 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.0 -39.13 15.95 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.764 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -166.33 173.62 9.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.699 -179.668 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -44.12 -30.66 0.79 Allowed 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.954 -179.2 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 95.0 mt -57.68 -48.72 82.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 C-N-CA 120.737 -0.385 . . . . 0.0 111.063 -178.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.535 ' O ' HG23 ' A' ' 41' ' ' VAL . 53.2 tp10 -69.12 -44.18 72.9 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.932 0.396 . . . . 0.0 111.397 -179.513 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.501 ' CD2' HD11 ' A' ' 59' ' ' LEU . 2.0 t80 -59.54 -49.78 76.45 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-O 121.55 0.691 . . . . 0.0 110.801 -178.269 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.593 ' O ' ' N ' ' A' ' 43' ' ' GLN . 58.1 mtpt -60.06 -38.78 83.84 Favored 'General case' 0 C--O 1.222 -0.345 0 O-C-N 122.083 -0.386 . . . . 0.0 110.618 -178.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -64.21 -39.39 93.88 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.821 0.344 . . . . 0.0 110.455 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 37' ' ' GLU . 64.2 t -59.14 -45.36 92.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.802 -178.824 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.447 ' HZ1' ' CB ' ' A' ' 60' ' ' GLN . 41.8 mmtm -102.65 -0.28 32.1 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.043 179.726 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.593 ' N ' ' O ' ' A' ' 39' ' ' LYS . 45.4 tt0 46.99 67.63 0.76 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.669 -179.564 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.421 HG22 ' HA ' ' A' ' 39' ' ' LYS . 33.1 m -119.51 -163.5 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.456 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -123.14 -33.87 3.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.733 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.5 mmt -134.92 160.68 37.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.825 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.492 HG13 ' HE2' ' A' ' 38' ' ' TYR . 97.2 t -104.37 142.04 18.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.443 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -74.48 118.45 17.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.935 0.398 . . . . 0.0 110.263 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 25.6 mtp85 -137.54 172.54 12.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.295 -179.343 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.4 ' HE1' ' HA ' ' A' ' 57' ' ' LYS . 73.8 m95 -101.53 143.01 25.75 Favored Pre-proline 0 C--O 1.221 -0.422 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.033 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -66.7 -26.79 45.47 Favored 'Trans proline' 0 C--N 1.303 -1.853 0 C-N-CA 122.506 2.137 . . . . 0.0 112.395 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.424 ' HG2' HG23 ' A' ' 53' ' ' THR . 33.7 tt0 -54.48 -53.46 54.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.971 -178.31 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.53 ' OG1' ' CD2' ' A' ' 55' ' ' TYR . 75.1 p -125.17 -32.09 3.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.954 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 97.43 25.25 11.13 Favored Glycine 0 C--O 1.224 -0.485 0 C-N-CA 120.658 -0.782 . . . . 0.0 111.234 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.53 ' CD2' ' OG1' ' A' ' 53' ' ' THR . 23.1 m-85 -85.51 161.78 19.21 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-O 120.604 0.24 . . . . 0.0 110.641 179.372 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.44 HG11 HD13 ' A' ' 59' ' ' LEU . 38.9 t -63.42 125.59 20.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.482 -178.516 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.4 ' HA ' ' HE1' ' A' ' 50' ' ' TRP . 75.5 tttt -78.26 -51.21 10.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.679 179.521 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 63.5 pttt -137.88 143.83 41.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.116 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.501 HD11 ' CD2' ' A' ' 38' ' ' TYR . 9.1 tp -147.9 128.27 13.95 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.529 ' O ' ' CE2' ' A' ' 32' ' ' TYR . 24.6 tt0 -80.78 132.65 35.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.693 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 7.3 mtm180 -76.96 166.79 22.85 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.8 -179.614 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.514 ' N ' ' O ' ' A' ' 30' ' ' ALA . 7.7 mtt-85 -65.58 -7.0 12.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.491 179.629 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.418 ' O ' ' CB ' ' A' ' 64' ' ' ASN . 96.5 m-20 -99.07 6.76 46.43 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.693 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.418 ' CB ' ' O ' ' A' ' 63' ' ' ASP . 2.5 m-20 78.27 -2.74 2.38 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-O 120.884 0.373 . . . . 0.0 110.639 179.758 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 23.9 p -81.01 127.64 32.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.404 179.664 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -76.12 127.97 34.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.469 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -125.68 116.89 22.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.297 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -81.84 139.06 34.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.419 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -108.55 157.96 17.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.835 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.519 ' O ' ' NH2' ' A' ' 26' ' ' ARG . 2.3 p-10 -99.76 138.76 36.4 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.686 179.649 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 40.1 pttt -82.38 -11.64 58.43 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.82 179.328 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.808 ' O ' ' O ' ' A' ' 73' ' ' ARG . 96.6 mt-10 -85.04 58.71 5.19 Favored 'General case' 0 CA--C 1.509 -0.6 0 CA-C-O 118.956 -0.545 . . . . 0.0 110.952 -178.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.808 ' O ' ' O ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER 35.58 127.64 0.0 OUTLIER 'General case' 0 N--CA 1.447 -0.604 0 O-C-N 124.259 0.974 . . . . 0.0 111.019 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.416 ' N ' ' HD2' ' A' ' 73' ' ' ARG . 1.0 OUTLIER -127.06 -24.58 3.42 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.686 177.89 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.599 ' SG ' ' CD2' ' A' ' 25' ' ' TYR . 69.4 m -79.66 130.07 35.03 Favored 'General case' 0 C--O 1.215 -0.746 0 CA-C-O 120.991 0.424 . . . . 0.0 111.649 -179.484 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.48 ' O ' ' N ' ' A' ' 79' ' ' GLU . 62.2 mm-40 -116.02 165.61 12.92 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.639 179.641 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -44.38 -31.56 1.09 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.323 -179.348 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -63.47 -31.43 72.59 Favored 'General case' 0 C--O 1.24 0.603 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.75 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.683 ' O ' HG23 ' A' ' 83' ' ' VAL . 47.4 mp0 -78.21 -35.72 48.16 Favored 'General case' 0 C--O 1.213 -0.847 0 CA-C-O 121.164 0.506 . . . . 0.0 110.692 179.404 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.7 HG21 ' N ' ' A' ' 17' ' ' TRP . 55.3 t -57.07 -47.17 84.18 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.914 0 C-N-CA 120.178 -0.609 . . . . 0.0 110.139 179.604 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 16.6 t-160 -62.02 -46.92 87.08 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.385 -0.526 . . . . 0.0 111.862 -178.709 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -77.9 -25.06 48.26 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.675 -0.41 . . . . 0.0 111.821 -179.748 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.683 HG23 ' O ' ' A' ' 79' ' ' GLU . 24.0 t -71.26 132.19 33.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.26 -179.769 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.549 ' O ' ' NE2' ' A' ' 28' ' ' GLN . 29.8 mtmm -109.51 123.73 49.88 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.969 179.157 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.831 HG13 ' CD1' ' A' ' 24' ' ' LEU . 21.8 t -95.64 121.18 45.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.918 0.39 . . . . 0.0 110.656 -179.029 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.501 ' O ' ' CD1' ' A' ' 86' ' ' TYR . 0.4 OUTLIER -81.77 149.7 28.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.595 -179.931 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 8.8 m -126.27 137.4 57.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.656 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 50.4 p90 . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 117.911 -1.042 . . . . 0.0 110.512 179.755 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' -3' ' ' GLY . . . . . 0.484 ' C ' ' H ' ' A' ' -1' ' ' HIS . . . . . . . . 0 N--CA 1.49 2.295 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 1.4 t 68.31 -8.49 0.58 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.822 0.344 . . . . 0.0 110.663 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -1' ' ' HIS . . . . . 0.484 ' H ' ' C ' ' A' ' -3' ' ' GLY . 86.4 t60 -62.25 -44.49 96.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.667 179.574 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 8.4 ttm -41.79 113.84 0.47 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.77 -179.596 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ptt? -158.64 158.83 34.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.608 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.593 ' O ' ' C ' ' A' ' 3' ' ' THR . . . -62.73 139.08 58.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.148 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.593 ' C ' ' O ' ' A' ' 2' ' ' ALA . 0.1 OUTLIER -11.96 -87.2 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.229 0 O-C-N 124.238 0.961 . . . . 0.0 111.02 -179.756 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.507 ' N ' ' OG1' ' A' ' 3' ' ' THR . 50.1 m -131.51 32.92 4.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.673 179.097 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.562 ' O ' ' HB3' ' A' ' 2' ' ' ALA . 24.8 m-20 -135.42 166.91 22.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.638 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 96.0 t -116.59 125.78 73.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.542 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -111.33 150.25 41.79 Favored Pre-proline 0 C--N 1.332 -0.189 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.584 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -65.3 140.51 64.54 Favored 'Trans proline' 0 C--N 1.307 -1.616 0 C-N-CA 122.71 2.274 . . . . 0.0 112.173 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.21 -24.52 13.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.625 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 72.1 m -167.62 174.63 7.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.658 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.3 mp -135.69 134.87 51.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.79 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 20.6 t -115.48 178.57 4.25 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.451 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.43 127.56 55.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.676 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.55 146.71 53.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.553 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.749 ' C ' HG11 ' A' ' 80' ' ' VAL . 8.5 mmtm -103.88 -40.74 6.12 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.158 179.554 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.895 ' CD ' ' H ' ' A' ' 17' ' ' TRP . 0.4 OUTLIER -125.86 175.2 7.82 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.115 178.899 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.895 ' H ' ' CD ' ' A' ' 16' ' ' LYS . 64.4 t90 -95.89 131.96 41.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.207 178.645 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 21' ' ' ILE . 50.4 m -159.97 159.84 32.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.754 179.59 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.2 pt-20 -44.13 -28.37 0.49 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.231 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -68.22 -44.0 76.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.384 179.23 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.423 ' N ' ' O ' ' A' ' 18' ' ' SER . 8.4 mm -72.44 -60.95 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.283 -0.417 . . . . 0.0 109.898 -179.423 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.47 ' CD ' ' N ' ' A' ' 23' ' ' ASN . 2.3 tm-20 -39.87 -51.13 2.46 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.589 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.47 ' N ' ' CD ' ' A' ' 22' ' ' GLU . 10.7 t-20 -58.15 -49.63 76.31 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.031 -179.356 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.761 ' CD1' HG13 ' A' ' 85' ' ' VAL . 75.9 mt -57.82 -40.92 81.13 Favored 'General case' 0 CA--C 1.513 -0.468 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.476 -179.577 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -59.32 -49.15 78.95 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 178.347 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.733 ' HE ' HH12 ' A' ' 73' ' ' ARG . 95.0 mtt180 -61.48 -47.22 86.65 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.0 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -61.29 -50.48 72.83 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-O 120.858 0.361 . . . . 0.0 110.568 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -57.08 -41.7 79.3 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.884 -179.681 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.462 ' O ' ' NH1' ' A' ' 62' ' ' ARG . 80.4 mm-40 -61.37 -39.8 91.96 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.809 0.338 . . . . 0.0 110.489 178.509 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.16 -16.33 61.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.367 179.578 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 102.89 7.31 44.63 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.561 -0.615 . . . . 0.0 111.561 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.615 ' CE1' HG21 ' A' ' 41' ' ' VAL . 15.3 m-85 -108.6 151.51 26.03 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.818 0.342 . . . . 0.0 110.507 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.04 -39.02 16.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.114 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -170.61 179.87 3.15 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.507 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -40.8 -36.18 0.59 Allowed 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.376 -179.55 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 94.4 mt -48.01 -62.3 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 C-N-CA 120.789 -0.364 . . . . 0.0 111.375 -179.318 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.597 ' O ' HG23 ' A' ' 41' ' ' VAL . 1.1 tm-20 -65.03 -48.37 74.09 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.861 -0.335 . . . . 0.0 111.58 -179.126 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.448 ' CD1' ' C ' ' A' ' 38' ' ' TYR . 1.7 t80 -53.21 -51.17 63.0 Favored 'General case' 0 N--CA 1.444 -0.733 0 C-N-CA 120.098 -0.641 . . . . 0.0 110.779 -177.602 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.604 ' O ' ' N ' ' A' ' 43' ' ' GLN . 29.3 mttp -61.73 -42.41 98.93 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 120.891 -0.323 . . . . 0.0 110.773 -179.621 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -62.19 -40.7 96.94 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.934 -179.402 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.615 HG21 ' CE1' ' A' ' 32' ' ' TYR . 76.6 t -60.11 -46.23 94.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.958 -178.709 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.57 ' O ' HG13 ' A' ' 44' ' ' VAL . 64.8 mmtt -103.95 7.52 36.7 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.853 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.604 ' N ' ' O ' ' A' ' 39' ' ' LYS . 94.0 mt-30 44.73 54.73 6.42 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.609 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.57 HG13 ' O ' ' A' ' 42' ' ' LYS . 18.9 m -125.26 -170.6 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.621 -179.749 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -142.97 -36.44 0.38 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 29.7 mmm -95.08 129.32 42.21 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.147 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.0 t -107.89 134.97 48.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.284 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -71.49 123.43 22.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.811 0.339 . . . . 0.0 110.488 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.53 ' NE ' ' O ' ' A' ' 54' ' ' GLY . 33.2 mtp180 -141.76 164.29 30.6 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.478 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.476 ' O ' ' N ' ' A' ' 54' ' ' GLY . 75.0 m95 -93.86 139.21 22.61 Favored Pre-proline 0 C--O 1.223 -0.313 0 C-N-CA 120.463 -0.495 . . . . 0.0 110.945 -179.691 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -64.25 -29.57 64.15 Favored 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 122.587 2.191 . . . . 0.0 112.546 -179.334 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -49.68 -50.8 42.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.418 -178.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.518 ' OG1' ' CD2' ' A' ' 55' ' ' TYR . 21.3 p -128.47 -31.69 2.25 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.978 179.547 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.53 ' O ' ' NE ' ' A' ' 49' ' ' ARG . . . 97.09 23.71 14.31 Favored Glycine 0 C--O 1.227 -0.317 0 N-CA-C 111.283 -0.727 . . . . 0.0 111.283 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.518 ' CD2' ' OG1' ' A' ' 53' ' ' THR . 28.9 m-85 -81.58 158.53 24.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.627 0.251 . . . . 0.0 110.563 179.644 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.559 HG11 HD13 ' A' ' 59' ' ' LEU . 48.5 t -59.68 124.71 14.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.836 -179.386 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 44.0 tttm -75.92 -47.02 26.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.055 179.45 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -145.26 145.79 31.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.234 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.559 HD13 HG11 ' A' ' 56' ' ' VAL . 7.2 tp -146.36 127.01 14.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.969 0.414 . . . . 0.0 110.648 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -81.47 132.88 35.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.419 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.415 ' HE ' ' HB2' ' A' ' 67' ' ' PHE . 7.9 mtt180 -75.3 171.54 14.02 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.221 0.534 . . . . 0.0 110.706 -179.514 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.676 ' H ' ' CD ' ' A' ' 62' ' ' ARG . 0.1 OUTLIER -68.22 -11.27 59.03 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.349 179.029 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -94.97 8.37 43.07 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.652 -179.071 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 18.3 m-20 70.41 37.43 1.54 Allowed 'General case' 0 C--N 1.329 -0.288 0 O-C-N 123.535 0.522 . . . . 0.0 110.839 179.458 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 21.6 p -118.69 126.53 52.11 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.649 179.457 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -73.65 120.16 18.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.334 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.415 ' HB2' ' HE ' ' A' ' 61' ' ' ARG . 50.3 t80 -119.85 118.02 29.68 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.299 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -82.12 137.03 35.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.49 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -107.71 152.11 24.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.864 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.447 ' O ' ' NH2' ' A' ' 26' ' ' ARG . 8.9 t30 -94.21 125.81 39.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.994 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.407 ' O ' ' N ' ' A' ' 73' ' ' ARG . 21.6 pttm -68.08 -33.13 73.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.33 0.586 . . . . 0.0 110.614 179.265 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 73' ' ' ARG . 90.7 mt-10 -71.57 58.3 0.29 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.88 179.66 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.733 HH12 ' HE ' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -33.35 138.09 0.07 Allowed 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.529 -179.734 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -134.57 38.73 3.06 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 179.262 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 92.9 m -89.5 149.68 22.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.458 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -132.5 177.08 7.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.718 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -47.76 -21.48 0.4 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.058 -179.449 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -66.61 -34.59 78.21 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.781 179.147 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.666 ' O ' HG23 ' A' ' 83' ' ' VAL . 0.5 OUTLIER -79.72 -32.66 41.25 Favored 'General case' 0 C--O 1.22 -0.499 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.446 -179.607 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.749 HG11 ' C ' ' A' ' 15' ' ' LYS . 72.5 t -60.71 -46.39 96.01 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 C-N-CA 120.357 -0.537 . . . . 0.0 110.369 179.609 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 60.7 t-80 -65.42 -45.99 81.74 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -178.029 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.02 -20.4 59.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.74 -179.536 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 79' ' ' GLU . 73.8 t -89.1 134.62 27.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.899 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -105.32 160.2 15.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.169 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.761 HG13 ' CD1' ' A' ' 24' ' ' LEU . 8.5 t -124.92 117.75 51.1 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.111 0 CA-C-O 120.857 0.36 . . . . 0.0 110.374 -179.471 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.585 ' O ' ' CD1' ' A' ' 86' ' ' TYR . 0.4 OUTLIER -75.09 144.1 43.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.489 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.6 m -128.39 126.8 66.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.048 0.452 . . . . 0.0 110.818 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 38.4 p90 . . . . . 0 C--O 1.221 -0.418 0 CA-C-O 117.978 -1.01 . . . . 0.0 110.421 179.756 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.344 0 N-CA-C 109.534 -1.426 . . . . 0.0 109.534 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' -2' ' ' SER . . . . . 0.408 ' O ' ' SD ' ' A' ' 0' ' ' MET . 16.1 m 42.28 -134.01 0.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.84 0.352 . . . . 0.0 110.509 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 58.7 m170 -79.37 150.09 31.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.475 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 0' ' ' MET . . . . . 0.408 ' SD ' ' O ' ' A' ' -2' ' ' SER . 2.6 mpt? -126.45 -89.85 0.55 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.58 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.0 mtt -132.74 156.54 46.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.661 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.499 ' C ' ' H ' ' A' ' 4' ' ' SER . . . -57.49 127.6 32.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.558 -179.608 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.407 ' O ' ' O ' ' A' ' 4' ' ' SER . 47.8 p 49.14 9.95 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.776 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.499 ' H ' ' C ' ' A' ' 2' ' ' ALA . 23.2 t 38.71 -157.77 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.511 -179.788 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -136.11 98.47 3.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.374 179.539 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 85.1 t -118.33 130.08 73.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.795 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.4 mmtm -63.66 154.2 81.0 Favored Pre-proline 0 N--CA 1.45 -0.436 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.617 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -54.89 152.42 29.11 Favored 'Trans proline' 0 C--N 1.31 -1.464 0 C-N-CA 122.553 2.169 . . . . 0.0 112.266 -179.45 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 39.5 tttm -89.38 -43.16 11.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.295 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.8 m -164.02 172.35 13.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.769 -179.656 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.1 mp -133.37 123.22 46.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.353 179.196 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.9 m -135.39 137.14 42.02 Favored 'General case' 0 C--O 1.219 -0.533 0 C-N-CA 121.102 -0.239 . . . . 0.0 111.002 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -71.88 153.34 41.94 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.42 0.629 . . . . 0.0 109.891 -178.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.442 ' HB2' HD12 ' A' ' 21' ' ' ILE . . . -78.23 159.71 28.35 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.204 -179.358 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.81 -40.98 12.11 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 120.625 0.25 . . . . 0.0 110.417 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.41 ' CA ' HG11 ' A' ' 80' ' ' VAL . 15.1 tptt -133.52 -173.68 3.29 Favored 'General case' 0 C--O 1.226 -0.132 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.094 179.657 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.53 ' NE1' ' OE1' ' A' ' 22' ' ' GLU . 49.9 t90 -96.59 127.96 43.07 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.122 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 21.3 m -154.94 156.42 36.04 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.528 179.195 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -45.12 -28.99 0.82 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.314 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.48 ' OE1' ' N ' ' A' ' 20' ' ' GLU . 49.3 mp0 -69.58 -44.97 69.72 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.064 179.201 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.562 HD13 ' N ' ' A' ' 21' ' ' ILE . 3.9 mm -72.52 -60.97 1.9 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.387 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.31 -179.199 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.544 ' CG ' ' NE ' ' A' ' 73' ' ' ARG . 4.0 tp10 -46.73 -46.37 20.24 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.388 -178.49 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -56.82 -49.9 74.0 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.58 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.803 ' CD1' HG13 ' A' ' 85' ' ' VAL . 75.2 mt -55.79 -39.95 72.0 Favored 'General case' 0 C--O 1.215 -0.729 0 C-N-CA 120.459 -0.496 . . . . 0.0 110.155 -179.589 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 93.1 t80 -63.3 -47.22 83.18 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.844 0.354 . . . . 0.0 110.247 178.015 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.452 ' O ' ' HG3' ' A' ' 29' ' ' GLN . 87.1 mtt180 -60.63 -46.86 88.71 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.329 -179.307 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.465 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 24.9 m-85 -69.94 -46.57 65.04 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.932 0.396 . . . . 0.0 110.769 179.378 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -51.99 -50.62 60.95 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.833 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.452 ' HG3' ' O ' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -55.43 -18.59 7.23 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.115 0.483 . . . . 0.0 110.255 179.748 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 27' ' ' PHE . . . -89.81 -17.99 27.11 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.9 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.528 ' O ' ' NH2' ' A' ' 62' ' ' ARG . . . 106.35 3.11 38.28 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.652 -0.579 . . . . 0.0 111.652 -179.758 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.642 ' CE1' HG21 ' A' ' 41' ' ' VAL . 31.0 m-85 -105.75 146.27 30.04 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 120.954 0.407 . . . . 0.0 110.966 179.614 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.462 ' CD ' ' H ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -81.18 -35.01 31.93 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.296 179.795 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.483 ' OD2' HD12 ' A' ' 36' ' ' ILE . 46.6 p30 -157.0 166.53 33.09 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-O 121.044 0.449 . . . . 0.0 110.511 179.645 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -51.33 -27.89 10.82 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.845 -179.652 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.483 HD12 ' OD2' ' A' ' 34' ' ' ASP . 93.4 mt -58.25 -47.99 86.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.688 -178.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 33.2 tp10 -65.52 -38.88 90.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.93 0.395 . . . . 0.0 110.397 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.589 ' CD1' HD11 ' A' ' 59' ' ' LEU . 22.6 t80 -60.54 -47.49 85.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.586 179.379 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.566 ' O ' ' N ' ' A' ' 43' ' ' GLN . 98.3 mttt -60.23 -39.45 86.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.964 -178.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.45 -42.55 98.94 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.163 0.506 . . . . 0.0 110.45 -179.753 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.642 HG21 ' CE1' ' A' ' 32' ' ' TYR . 79.4 t -62.7 -42.54 96.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.155 -179.473 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.7 mmtt -96.37 -0.02 49.97 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.292 179.631 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.566 ' N ' ' O ' ' A' ' 39' ' ' LYS . 96.4 mm-40 41.89 50.9 4.17 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.618 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.555 ' O ' ' HB2' ' A' ' 45' ' ' ALA . 8.0 m -102.26 -112.87 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.898 0.38 . . . . 0.0 110.749 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.555 ' HB2' ' O ' ' A' ' 44' ' ' VAL . . . 170.65 -24.89 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.666 -179.718 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.444 ' SD ' ' C ' ' A' ' 46' ' ' MET . 3.6 ppp? -141.67 152.02 43.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.319 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 19.4 t -109.44 136.6 44.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.299 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -61.86 129.45 41.02 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.542 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 91.1 mtt-85 -140.96 159.16 42.8 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.987 -179.28 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.541 ' O ' ' N ' ' A' ' 54' ' ' GLY . 67.9 m95 -92.55 138.13 24.06 Favored Pre-proline 0 C--O 1.216 -0.7 0 C-N-CA 120.222 -0.591 . . . . 0.0 110.635 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -64.11 -33.21 62.26 Favored 'Trans proline' 0 C--N 1.3 -2.008 0 C-N-CA 122.366 2.044 . . . . 0.0 112.49 -179.4 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -51.67 -50.56 60.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.233 -178.207 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 13.1 p -123.05 -30.02 3.82 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.816 0.341 . . . . 0.0 111.469 179.538 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.541 ' N ' ' O ' ' A' ' 50' ' ' TRP . . . 89.49 21.62 40.11 Favored Glycine 0 N--CA 1.464 0.541 0 C-N-CA 120.53 -0.843 . . . . 0.0 111.126 -179.679 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -80.56 163.37 23.74 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.621 179.645 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 75.9 t -60.09 123.51 12.73 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.335 0 O-C-N 123.565 0.54 . . . . 0.0 110.085 -179.62 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.404 ' HA ' ' HE1' ' A' ' 50' ' ' TRP . 38.7 tttm -77.24 -49.51 14.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.956 0.407 . . . . 0.0 110.989 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -150.84 148.98 29.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.75 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.596 HD13 ' N ' ' A' ' 60' ' ' GLN . 0.2 OUTLIER -147.59 129.37 15.21 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.032 179.394 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.596 ' N ' HD13 ' A' ' 59' ' ' LEU . 29.4 tt0 -79.14 134.03 36.72 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.305 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.3 mtm180 -78.47 172.67 13.31 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.604 0.716 . . . . 0.0 110.657 -179.151 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.528 ' NH2' ' O ' ' A' ' 31' ' ' GLY . 8.1 tpp180 -68.79 -11.13 60.04 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.387 179.154 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -95.96 12.37 30.63 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.997 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 64.63 37.94 7.44 Favored 'General case' 0 N--CA 1.454 -0.267 0 O-C-N 123.823 0.702 . . . . 0.0 111.261 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 24.5 p -117.88 126.58 52.64 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.417 179.033 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -72.27 122.97 21.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.414 -179.709 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -120.18 111.78 18.27 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.106 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -82.3 135.35 35.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.676 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.447 ' OH ' ' CG ' ' A' ' 29' ' ' GLN . 74.8 m-85 -105.55 153.15 22.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.369 179.568 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -94.31 112.55 24.35 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.681 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.504 ' HG3' ' N ' ' A' ' 72' ' ' GLU . 60.5 pttt -43.39 -37.26 2.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.118 0.485 . . . . 0.0 110.485 -179.637 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.504 ' N ' ' HG3' ' A' ' 71' ' ' LYS . 2.8 tt0 -70.05 151.51 45.44 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 179.769 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.544 ' NE ' ' CG ' ' A' ' 22' ' ' GLU . 0.1 OUTLIER -128.87 141.71 51.2 Favored 'General case' 0 C--N 1.321 -0.635 0 O-C-N 123.809 0.693 . . . . 0.0 112.732 -179.484 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -135.74 38.57 2.83 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 179.009 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.428 ' CB ' ' OE1' ' A' ' 22' ' ' GLU . 32.7 t -87.77 149.24 24.3 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.945 179.636 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -131.46 174.4 10.13 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.358 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.431 ' OD1' ' N ' ' A' ' 78' ' ' LYS . 52.8 p-10 -53.25 -19.56 3.3 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.065 0.46 . . . . 0.0 110.508 -179.722 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.431 ' N ' ' OD1' ' A' ' 77' ' ' ASP . 26.2 mmtm -67.38 -37.91 83.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.82 179.226 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.858 ' O ' HG23 ' A' ' 83' ' ' VAL . 3.8 mm-40 -82.12 -32.16 30.3 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.257 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.41 HG11 ' CA ' ' A' ' 16' ' ' LYS . 84.7 t -58.0 -40.51 77.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.164 0.507 . . . . 0.0 109.844 -179.709 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 55.4 m170 -73.43 -39.37 65.05 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.061 179.274 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.66 -21.43 62.6 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.719 179.484 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.858 HG23 ' O ' ' A' ' 79' ' ' GLU . 92.2 t -87.25 138.44 19.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.468 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -108.32 141.87 39.49 Favored 'General case' 0 C--O 1.225 -0.214 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.564 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.803 HG13 ' CD1' ' A' ' 24' ' ' LEU . 49.3 t -116.62 122.81 70.7 Favored 'Isoleucine or valine' 0 C--O 1.231 0.119 0 CA-C-O 120.98 0.419 . . . . 0.0 110.411 179.733 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.559 ' O ' ' CD1' ' A' ' 86' ' ' TYR . 0.4 OUTLIER -88.0 146.42 25.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.495 179.91 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.529 ' O ' HG13 ' A' ' 87' ' ' VAL . 4.6 p -128.41 125.76 64.46 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.455 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 20.2 p90 . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 118.062 -0.97 . . . . 0.0 110.383 179.771 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.351 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 69.9 m -66.6 141.7 57.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.782 0.325 . . . . 0.0 110.593 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 55.2 p-80 -105.77 6.08 31.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.528 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 24.9 mtt -71.02 99.18 1.76 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.641 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.0 mmt -128.42 125.54 38.79 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.584 179.618 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.38 138.99 30.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.601 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 50.9 p 40.8 -159.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.659 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 62.1 m 53.08 37.64 25.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.534 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -152.33 78.79 1.23 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.401 179.745 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 85.9 t -117.82 128.29 75.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.615 179.673 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.479 ' HD2' ' H ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -98.92 155.99 36.01 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.205 -179.811 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -71.2 156.63 58.97 Favored 'Trans proline' 0 N--CA 1.492 1.438 0 C-N-CA 122.487 2.125 . . . . 0.0 112.506 179.511 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.67 -43.66 8.55 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.793 179.301 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 71.3 m -158.01 165.07 36.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.931 -179.712 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.6 mp -126.91 132.03 70.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.417 179.374 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 45.8 t -122.95 178.16 5.18 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.478 -179.448 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.523 HH12 ' C ' ' A' ' 82' ' ' LYS . 26.3 mmt180 -117.64 132.16 56.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.785 179.676 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.47 ' HB2' HD12 ' A' ' 21' ' ' ILE . . . -66.3 152.41 45.02 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.592 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.702 ' CD ' ' H ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -95.16 -38.1 10.74 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.389 -179.644 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.452 ' CG ' ' N ' ' A' ' 17' ' ' TRP . 0.2 OUTLIER -136.88 -171.33 2.91 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 -179.661 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.452 ' N ' ' CG ' ' A' ' 16' ' ' LYS . 65.4 t90 -97.2 127.94 43.62 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.792 179.243 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 21' ' ' ILE . 47.2 t -155.5 156.02 34.48 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.462 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.2 pt-20 -43.76 -29.92 0.59 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.366 -179.45 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -66.02 -43.05 88.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.515 179.033 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.47 HD12 ' HB2' ' A' ' 14' ' ' ALA . 6.1 mm -72.9 -58.74 4.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 109.889 -179.667 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.462 ' CD ' ' N ' ' A' ' 23' ' ' ASN . 2.3 tm-20 -43.33 -52.15 5.98 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.886 -0.412 . . . . 0.0 109.886 -179.41 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.507 ' ND2' ' CE1' ' A' ' 27' ' ' PHE . 17.4 t-20 -57.38 -49.43 76.2 Favored 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 120.338 -0.545 . . . . 0.0 110.622 -179.648 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.805 ' CD1' HG13 ' A' ' 85' ' ' VAL . 62.0 mt -57.58 -41.63 81.51 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 119.974 -0.69 . . . . 0.0 109.999 -179.151 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -60.69 -48.79 80.19 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.483 178.458 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.642 ' HE ' ' NH1' ' A' ' 73' ' ' ARG . 95.7 mtt180 -62.15 -45.87 91.48 Favored 'General case' 0 C--O 1.225 -0.222 0 C-N-CA 120.569 -0.453 . . . . 0.0 110.641 -179.203 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.507 ' CE1' ' ND2' ' A' ' 23' ' ' ASN . 9.0 m-85 -66.31 -47.61 72.98 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.175 -0.61 . . . . 0.0 110.469 -179.204 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -59.2 -44.19 92.23 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.123 -179.063 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.544 ' NE2' ' OH ' ' A' ' 69' ' ' TYR . 2.3 pp0? -69.78 -22.31 63.35 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.144 -0.622 . . . . 0.0 109.652 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.97 -16.71 43.11 Favored 'General case' 0 N--CA 1.457 -0.103 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.705 179.356 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.495 ' O ' ' NE ' ' A' ' 62' ' ' ARG . . . 107.8 -0.88 33.98 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.538 -0.625 . . . . 0.0 111.538 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.537 ' CD1' ' OE1' ' A' ' 37' ' ' GLU . 2.5 m-85 -110.63 148.85 31.37 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-O 121.176 0.512 . . . . 0.0 110.021 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.79 -35.56 19.07 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.996 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.446 ' CG ' ' H ' ' A' ' 35' ' ' GLU . 39.7 t0 -171.66 -178.37 2.24 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.496 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.446 ' H ' ' CG ' ' A' ' 34' ' ' ASP . 22.8 pt-20 -44.56 -41.72 6.72 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.908 -178.419 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -47.55 -63.69 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.437 -1.095 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.661 -179.304 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.537 ' OE1' ' CD1' ' A' ' 32' ' ' TYR . 13.0 tm-20 -64.33 -40.69 96.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.065 -178.477 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.57 ' CE2' HD11 ' A' ' 59' ' ' LEU . 1.4 t80 -59.64 -51.13 71.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.42 0.629 . . . . 0.0 110.44 -178.193 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.605 ' O ' ' N ' ' A' ' 43' ' ' GLN . 5.4 mtpm? -57.75 -39.57 77.7 Favored 'General case' 0 CA--C 1.509 -0.6 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.657 -178.428 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.534 ' O ' ' NE2' ' A' ' 43' ' ' GLN . 0.7 OUTLIER -60.68 -42.31 96.85 Favored 'General case' 0 C--N 1.319 -0.759 0 C-N-CA 120.609 -0.437 . . . . 0.0 110.655 -179.814 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 74.4 t -59.43 -46.07 93.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.709 -178.734 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.524 ' O ' HG13 ' A' ' 44' ' ' VAL . 38.7 mmtm -102.65 3.97 37.73 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.834 -0.347 . . . . 0.0 110.89 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.605 ' N ' ' O ' ' A' ' 39' ' ' LYS . 97.4 mm-40 47.72 51.3 14.25 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.633 -179.747 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.524 HG13 ' O ' ' A' ' 42' ' ' LYS . 31.9 m -124.75 -172.49 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.479 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -135.33 -34.87 0.84 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.933 -179.479 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 26.4 ptt? -97.94 147.86 24.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.953 -179.692 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 47.8 t -116.41 134.79 58.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -72.33 122.36 21.02 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 110.351 -0.24 . . . . 0.0 110.351 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 41.4 mtt180 -140.48 163.89 31.62 Favored 'General case' 0 C--O 1.233 0.218 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.337 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.498 ' O ' ' N ' ' A' ' 54' ' ' GLY . 91.3 m95 -89.86 140.43 27.77 Favored Pre-proline 0 C--O 1.221 -0.406 0 C-N-CA 120.193 -0.603 . . . . 0.0 110.981 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -65.75 -28.71 51.5 Favored 'Trans proline' 0 N--CA 1.499 1.816 0 C-N-CA 122.062 1.841 . . . . 0.0 112.965 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -57.59 -50.41 73.21 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.898 -178.154 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 81.9 p -119.61 -27.82 5.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.74 -179.172 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 50' ' ' TRP . . . 90.45 13.79 59.44 Favored Glycine 0 CA--C 1.524 0.627 0 C-N-CA 120.232 -0.985 . . . . 0.0 111.088 -178.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -84.6 157.09 21.31 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 120.24 -0.584 . . . . 0.0 111.112 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.474 HG11 HD13 ' A' ' 59' ' ' LEU . 38.8 t -57.43 125.97 14.26 Favored 'Isoleucine or valine' 0 C--O 1.232 0.181 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.433 -179.097 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.441 ' CD ' ' CZ2' ' A' ' 50' ' ' TRP . 24.7 ttpp -76.4 -51.37 11.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.124 179.53 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -143.17 145.37 32.75 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.292 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.57 HD11 ' CE2' ' A' ' 38' ' ' TYR . 6.1 tp -146.36 129.84 16.85 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.162 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -80.25 134.09 36.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.664 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 7.4 mtm180 -76.38 171.06 15.2 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.887 -179.393 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.495 ' NE ' ' O ' ' A' ' 31' ' ' GLY . 7.8 mtt180 -67.85 -9.63 46.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.007 179.302 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -97.88 14.35 27.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.063 -179.578 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 63.65 38.2 9.64 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-O 120.769 0.318 . . . . 0.0 111.268 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 24.5 p -120.29 130.35 54.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.461 178.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 -73.36 120.85 19.54 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.3 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -118.73 114.47 22.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.123 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -82.88 135.51 34.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.726 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.544 ' OH ' ' NE2' ' A' ' 29' ' ' GLN . 58.8 m-85 -105.31 150.99 24.7 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.653 179.611 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 72' ' ' GLU . 7.7 t30 -93.8 118.05 30.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.189 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.1 ptmm? -59.4 -34.79 72.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.301 179.59 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.448 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 99.6 mt-10 -74.11 58.25 0.68 Allowed 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.103 -0.639 . . . . 0.0 109.876 179.574 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.642 ' NH1' ' HE ' ' A' ' 26' ' ' ARG . 0.1 OUTLIER -32.14 131.48 0.14 Allowed 'General case' 0 C--O 1.232 0.154 0 O-C-N 123.481 0.488 . . . . 0.0 111.683 -179.06 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -119.96 35.69 4.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.084 179.598 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.408 ' SG ' ' CD1' ' A' ' 17' ' ' TRP . 0.0 OUTLIER -88.79 145.14 25.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.264 179.704 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.4 ' N ' ' SG ' ' A' ' 75' ' ' CYS . 97.6 mt-10 -127.17 172.62 10.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.349 179.723 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -49.24 -24.64 1.87 Allowed 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.543 -179.608 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.71 -33.91 76.68 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.915 179.258 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.687 ' O ' HG23 ' A' ' 83' ' ' VAL . 79.5 mm-40 -82.63 -30.35 29.46 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.466 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 77.6 t -58.77 -46.78 90.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.513 ' O ' ' NH1' ' A' ' 13' ' ' ARG . 69.2 m80 -67.67 -40.1 84.47 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.026 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.523 ' C ' HH12 ' A' ' 13' ' ' ARG . 0.1 OUTLIER -70.34 -27.24 64.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.857 0.36 . . . . 0.0 110.68 179.838 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.687 HG23 ' O ' ' A' ' 79' ' ' GLU . 97.6 t -85.96 135.38 25.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.782 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -104.55 157.36 17.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.134 179.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.805 HG13 ' CD1' ' A' ' 24' ' ' LEU . 17.5 t -124.53 120.45 59.03 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.562 ' O ' ' CD1' ' A' ' 86' ' ' TYR . 0.3 OUTLIER -88.42 146.69 25.09 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.953 -179.522 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.9 m -128.8 127.01 65.92 Favored 'Isoleucine or valine' 0 C--O 1.232 0.132 0 CA-C-O 121.124 0.488 . . . . 0.0 110.646 179.688 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 35.3 p90 . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 117.93 -1.033 . . . . 0.0 110.437 -179.92 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.384 0 N-CA-C 109.466 -1.453 . . . . 0.0 109.466 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 53.08 -169.32 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.814 0.34 . . . . 0.0 110.538 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 26.9 t-80 59.4 38.08 22.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.58 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 7.7 mtm -105.82 -141.13 0.37 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.452 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.4 mtt -109.76 114.14 27.47 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.429 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -70.48 146.4 50.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.716 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.3 m 48.49 33.45 4.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.533 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -150.51 -71.03 0.18 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.718 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 51.82 51.62 16.19 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.756 -0.377 . . . . 0.0 110.849 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 87.4 t -77.38 112.34 15.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.273 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 32.0 mmtm -118.59 152.45 51.2 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.944 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -66.03 158.02 56.46 Favored 'Trans proline' 0 C--N 1.309 -1.542 0 C-N-CA 122.786 2.324 . . . . 0.0 112.002 179.215 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -103.46 -30.32 10.62 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.671 -179.354 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 41.6 m -159.3 166.14 31.88 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.696 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.2 mp -130.29 131.75 65.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.348 179.298 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 65.3 m -120.57 176.2 5.62 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.589 -179.548 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.6 mmt85 -114.87 131.6 56.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.265 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.568 ' HB3' HG13 ' A' ' 80' ' ' VAL . . . -63.17 146.06 54.16 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.795 -179.524 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.424 ' C ' HG11 ' A' ' 80' ' ' VAL . 95.5 mttt -88.98 -38.97 14.04 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.779 -0.368 . . . . 0.0 111.762 -179.675 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.411 ' C ' HG21 ' A' ' 80' ' ' VAL . 88.3 tttt -149.3 151.04 33.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.434 -179.471 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.719 ' N ' HG21 ' A' ' 80' ' ' VAL . 71.4 t90 -54.34 134.6 45.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.05 -179.175 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -159.49 159.88 34.01 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.102 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -47.62 -31.96 5.07 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.35 -179.07 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -69.46 -39.42 77.76 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.66 178.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.52 HD13 ' N ' ' A' ' 21' ' ' ILE . 3.5 mm -70.74 -58.13 6.08 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.356 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 -178.703 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.474 ' CD ' ' N ' ' A' ' 23' ' ' ASN . 1.7 tm-20 -44.53 -50.61 9.48 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 120.539 -0.464 . . . . 0.0 109.871 -178.864 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.474 ' N ' ' CD ' ' A' ' 22' ' ' GLU . 16.6 t-20 -58.06 -49.07 78.17 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.931 -179.202 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.788 HD13 HG13 ' A' ' 85' ' ' VAL . 54.2 mt -59.59 -40.76 88.5 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.016 -0.673 . . . . 0.0 110.041 -179.432 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -61.27 -49.38 77.31 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.418 178.315 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.42 ' O ' ' HG3' ' A' ' 29' ' ' GLN . 94.6 mtt180 -61.67 -44.17 97.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.368 0.604 . . . . 0.0 110.02 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.457 ' CE2' ' C ' ' A' ' 34' ' ' ASP . 6.4 m-85 -65.64 -49.07 70.01 Favored 'General case' 0 C--N 1.321 -0.639 0 O-C-N 121.437 -0.789 . . . . 0.0 110.651 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -59.73 -45.85 90.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.48 -179.444 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.42 ' HG3' ' O ' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -67.0 -21.33 65.95 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.559 -0.456 . . . . 0.0 109.813 179.777 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -89.06 -14.25 36.8 Favored 'General case' 0 CA--C 1.528 0.123 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.624 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 103.3 -4.84 48.41 Favored Glycine 0 CA--C 1.528 0.855 0 N-CA-C 111.325 -0.71 . . . . 0.0 111.325 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.506 ' CE1' HG21 ' A' ' 41' ' ' VAL . 15.3 m-85 -100.16 150.6 22.34 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-O 121.022 0.439 . . . . 0.0 110.078 -179.714 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.98 -38.41 16.64 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.838 -179.336 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.457 ' C ' ' CE2' ' A' ' 27' ' ' PHE . 44.7 t0 -168.69 177.27 5.21 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.536 -179.585 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.428 ' H ' ' CG ' ' A' ' 34' ' ' ASP . 98.5 mt-10 -45.95 -32.08 2.54 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 123.555 0.534 . . . . 0.0 110.939 -179.001 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 93.2 mt -57.84 -48.75 83.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.962 -179.047 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.502 ' O ' HG23 ' A' ' 41' ' ' VAL . 51.1 tp10 -68.71 -42.86 77.1 Favored 'General case' 0 CA--C 1.513 -0.447 0 C-N-CA 120.889 -0.324 . . . . 0.0 111.612 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.531 ' CD2' HD11 ' A' ' 59' ' ' LEU . 1.7 t80 -58.64 -50.19 74.74 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 119.46 -0.896 . . . . 0.0 110.157 -178.028 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.525 ' O ' ' N ' ' A' ' 43' ' ' GLN . 57.7 mttp -59.0 -40.49 85.04 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.727 -179.22 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -62.45 -40.1 95.5 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.702 179.478 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.506 HG21 ' CE1' ' A' ' 32' ' ' TYR . 60.2 t -58.84 -45.95 91.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.896 -179.27 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.577 ' O ' HG13 ' A' ' 44' ' ' VAL . 43.5 mmtm -100.8 5.72 43.59 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.657 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.525 ' N ' ' O ' ' A' ' 39' ' ' LYS . 6.2 tp60 46.84 53.2 10.62 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.746 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.577 HG13 ' O ' ' A' ' 42' ' ' LYS . 34.1 m -125.24 -171.73 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.447 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -145.93 30.2 1.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.719 -179.624 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 4.0 mmm -159.89 128.41 4.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.001 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.489 HG13 ' HE2' ' A' ' 38' ' ' TYR . 80.5 t -108.34 130.19 61.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.368 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -71.34 125.48 27.1 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.953 -0.299 . . . . 0.0 110.36 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 35.4 mtt85 -138.1 170.64 15.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.365 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 69.7 m95 -99.25 142.46 24.65 Favored Pre-proline 0 CA--C 1.534 0.332 0 C-N-CA 120.218 -0.593 . . . . 0.0 110.988 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -66.66 -24.24 48.16 Favored 'Trans proline' 0 N--CA 1.497 1.704 0 C-N-CA 122.242 1.961 . . . . 0.0 112.687 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -51.73 -52.64 46.95 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.135 -177.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 23.5 p -130.96 -26.89 2.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.116 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 96.82 27.55 9.5 Favored Glycine 0 CA--C 1.523 0.555 0 C-N-CA 120.417 -0.897 . . . . 0.0 111.559 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -88.75 158.94 18.01 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.39 -0.524 . . . . 0.0 110.627 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 61.0 t -59.34 126.24 16.69 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.07 -178.645 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 77.2 tttt -79.46 -49.94 11.54 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.712 179.573 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -138.91 141.59 38.52 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.253 -179.581 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.531 HD11 ' CD2' ' A' ' 38' ' ' TYR . 9.3 tp -147.0 129.0 15.47 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.166 -0.613 . . . . 0.0 110.114 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.519 ' CB ' ' HZ1' ' A' ' 42' ' ' LYS . 29.6 tt0 -79.73 133.87 36.36 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.985 -179.666 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 22.1 mtm180 -76.48 168.97 19.13 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.807 -179.099 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.24 -8.0 28.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.919 179.251 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -98.2 12.49 34.44 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.153 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 63.0 m-20 65.43 37.44 6.19 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.987 0.423 . . . . 0.0 111.507 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 28.1 p -119.93 132.1 55.42 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.494 179.021 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -77.09 121.17 23.19 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 -179.476 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -120.33 116.13 24.92 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.276 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -82.36 132.35 35.22 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.044 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -99.69 156.31 17.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.678 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.408 ' O ' ' NH2' ' A' ' 26' ' ' ARG . 11.2 t-20 -93.63 115.79 28.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.457 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.46 -22.27 63.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.13 179.533 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.452 ' O ' ' C ' ' A' ' 73' ' ' ARG . 1.0 OUTLIER -80.87 57.11 2.93 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.353 0.597 . . . . 0.0 109.632 179.388 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.592 ' NE ' ' SG ' ' A' ' 75' ' ' CYS . 0.0 OUTLIER -31.86 124.76 0.27 Allowed 'General case' 0 C--N 1.334 -0.089 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.559 -178.914 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.511 ' H ' HH11 ' A' ' 73' ' ' ARG . 7.7 mm-40 -121.73 35.27 4.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.323 0.582 . . . . 0.0 109.864 -179.779 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.592 ' SG ' ' NE ' ' A' ' 73' ' ' ARG . 87.8 m -88.43 146.73 25.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.842 179.56 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.413 ' C ' ' N ' ' A' ' 78' ' ' LYS . 97.7 mt-10 -132.47 174.51 10.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.766 -179.667 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.421 ' OD1' ' O ' ' A' ' 77' ' ' ASP . 65.5 t0 -46.99 -22.35 0.32 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.047 -179.514 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.506 ' N ' ' CD ' ' A' ' 78' ' ' LYS . 10.9 mptt -65.92 -35.19 79.94 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.659 179.262 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.652 ' O ' HG23 ' A' ' 83' ' ' VAL . 1.0 OUTLIER -78.39 -34.5 48.13 Favored 'General case' 0 C--O 1.216 -0.69 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.95 179.827 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.719 HG21 ' N ' ' A' ' 17' ' ' TRP . 62.2 t -61.32 -45.0 99.48 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 C-N-CA 119.743 -0.783 . . . . 0.0 110.933 179.517 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -63.36 -44.71 94.02 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.982 -0.554 . . . . 0.0 112.02 -178.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.0 -22.41 42.5 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 120.347 -0.541 . . . . 0.0 110.959 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 79' ' ' GLU . 79.7 t -84.71 135.98 23.71 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.836 179.682 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 56.9 pttt -110.12 151.12 27.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.89 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.788 HG13 HD13 ' A' ' 24' ' ' LEU . 46.6 t -120.69 121.56 65.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 10.3 p90 -83.46 143.0 30.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.498 -179.487 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 6.1 m -126.58 131.56 71.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 CA-C-O 121.086 0.469 . . . . 0.0 110.744 179.606 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 55.7 p90 . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.404 -179.984 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' -3' ' ' GLY . . . . . 0.495 ' O ' ' CE1' ' A' ' -1' ' ' HIS . . . . . . . . 0 N--CA 1.49 2.28 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 67.0 m -68.26 148.66 50.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.666 0.27 . . . . 0.0 110.523 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -1' ' ' HIS . . . . . 0.495 ' CE1' ' O ' ' A' ' -3' ' ' GLY . 79.8 m80 -128.82 144.58 51.21 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.56 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 12.4 ttt -60.55 -38.05 83.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.472 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.4 mtp -86.43 140.49 29.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.534 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.51 142.34 58.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.426 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 96.9 m -70.44 126.23 29.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.586 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 63.6 p -140.74 18.64 2.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.565 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.418 ' OD1' ' N ' ' A' ' 6' ' ' VAL . 67.0 t0 -59.61 133.71 56.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.346 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.418 ' N ' ' OD1' ' A' ' 5' ' ' ASP . 63.2 t -86.01 124.28 40.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.372 -179.79 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -88.66 153.08 49.98 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -46.38 162.64 0.13 Allowed 'Trans proline' 0 N--CA 1.49 1.306 0 C-N-CA 122.35 2.033 . . . . 0.0 112.397 179.053 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.8 tptp -92.6 -33.05 14.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.392 179.409 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 71.1 m -163.69 171.26 15.89 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.853 0.359 . . . . 0.0 110.996 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.7 mp -129.18 134.79 63.32 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.236 179.472 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.3 t -121.87 178.46 4.86 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.578 -179.57 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 90.5 mtt-85 -114.32 132.89 56.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.96 179.688 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.64 144.49 56.21 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.314 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.437 ' C ' HG11 ' A' ' 80' ' ' VAL . 57.8 mmtt -96.64 -41.03 8.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.84 0.352 . . . . 0.0 111.141 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -146.57 148.8 32.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.023 0.44 . . . . 0.0 110.783 -179.637 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.511 ' N ' HG21 ' A' ' 80' ' ' VAL . 66.5 t90 -53.69 136.25 39.7 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.012 179.471 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.4 p -161.55 163.9 29.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.955 179.18 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 47.4 mp0 -51.08 -35.81 36.85 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.859 -178.127 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -67.94 -41.36 82.66 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.648 179.373 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 7.9 mm -71.21 -58.15 5.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 C-N-CA 120.684 -0.407 . . . . 0.0 110.054 -179.387 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.503 ' OE2' ' NH2' ' A' ' 26' ' ' ARG . 88.6 tt0 -44.04 -48.45 8.86 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -178.233 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -61.49 -48.53 80.64 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.756 179.365 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.786 ' CD1' HG13 ' A' ' 85' ' ' VAL . 52.3 mt -58.88 -39.31 81.04 Favored 'General case' 0 CA--C 1.514 -0.438 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.528 -179.176 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.447 ' CD1' ' C ' ' A' ' 25' ' ' TYR . 15.6 t80 -58.26 -49.69 76.22 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.09 178.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.503 ' NH2' ' OE2' ' A' ' 22' ' ' GLU . 95.7 mtt180 -62.09 -45.76 92.06 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.449 -0.5 . . . . 0.0 110.192 -179.221 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -62.84 -50.37 71.23 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.863 0.363 . . . . 0.0 110.996 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.511 ' NE2' ' O ' ' A' ' 84' ' ' LYS . 74.9 mt-30 -56.91 -40.09 75.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.816 -178.799 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 47.8 mm-40 -62.49 -40.65 97.36 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.172 178.363 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.53 -20.05 61.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.682 179.673 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 106.59 8.76 32.16 Favored Glycine 0 CA--C 1.522 0.505 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.512 ' CD1' ' OE1' ' A' ' 37' ' ' GLU . 18.9 m-85 -108.91 149.75 28.7 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.184 0.516 . . . . 0.0 110.769 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.696 ' HE ' ' CA ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -88.05 -38.07 15.76 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.78 -179.131 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.4 ' OD2' ' OH ' ' A' ' 86' ' ' TYR . 49.2 p-10 -164.85 174.14 10.93 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.944 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.4 mp0 -45.95 -35.37 4.62 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.369 -178.511 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 39.9 mm -52.08 -49.75 38.01 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-O 120.955 0.407 . . . . 0.0 110.643 -178.024 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.512 ' OE1' ' CD1' ' A' ' 32' ' ' TYR . 3.8 tm-20 -67.92 -41.57 82.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.652 -179.45 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -59.51 -47.13 86.71 Favored 'General case' 0 CA--C 1.511 -0.524 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.313 179.578 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.515 ' O ' ' N ' ' A' ' 43' ' ' GLN . 58.0 mttp -59.66 -41.97 91.78 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 120.411 -0.516 . . . . 0.0 111.064 -179.069 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 96.2 mm-40 -61.59 -42.77 99.34 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.323 -0.551 . . . . 0.0 110.698 -179.418 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.413 HG21 ' CE1' ' A' ' 32' ' ' TYR . 63.2 t -61.77 -44.79 99.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.757 0.313 . . . . 0.0 111.226 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.722 ' O ' HG13 ' A' ' 44' ' ' VAL . 31.0 mmtp -94.41 2.29 55.78 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.599 -179.402 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.515 ' N ' ' O ' ' A' ' 39' ' ' LYS . 99.0 mt-30 45.91 51.13 10.87 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.817 179.37 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.722 HG13 ' O ' ' A' ' 42' ' ' LYS . 33.1 m -130.68 -178.21 2.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.46 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -133.15 20.64 4.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.87 -179.642 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.24 137.69 15.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.689 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 16.5 t -110.83 134.73 52.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.964 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -70.17 124.76 24.92 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.547 ' NE ' ' O ' ' A' ' 54' ' ' GLY . 37.4 mtp180 -142.35 165.08 28.4 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.365 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.484 ' O ' ' N ' ' A' ' 54' ' ' GLY . 78.8 m95 -93.44 141.7 24.26 Favored Pre-proline 0 C--O 1.22 -0.459 0 C-N-CA 120.217 -0.593 . . . . 0.0 111.14 -179.423 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -66.24 -27.16 48.67 Favored 'Trans proline' 0 N--CA 1.496 1.676 0 C-N-CA 122.27 1.98 . . . . 0.0 112.764 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -53.7 -50.52 65.7 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.921 -177.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.548 ' OG1' ' CD2' ' A' ' 55' ' ' TYR . 75.5 p -127.4 -26.9 2.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.438 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.547 ' O ' ' NE ' ' A' ' 49' ' ' ARG . . . 92.79 18.84 39.2 Favored Glycine 0 C--O 1.224 -0.48 0 C-N-CA 120.051 -1.071 . . . . 0.0 111.067 -178.782 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.548 ' CD2' ' OG1' ' A' ' 53' ' ' THR . 24.6 m-85 -82.9 161.46 21.85 Favored 'General case' 0 CA--C 1.516 -0.358 0 C-N-CA 120.268 -0.573 . . . . 0.0 111.149 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.471 ' O ' ' NH1' ' A' ' 26' ' ' ARG . 41.2 t -62.45 122.48 13.32 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.487 -178.534 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -75.18 -49.93 17.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.566 179.413 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -142.62 144.67 32.91 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.178 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.444 HD12 ' HA ' ' A' ' 59' ' ' LEU . 9.0 tp -145.56 127.24 15.22 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.177 -179.341 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -84.58 133.01 34.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.206 -179.437 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 20.2 mtm180 -76.13 173.44 11.31 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.511 0.672 . . . . 0.0 111.083 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 25.6 mmm-85 -70.5 -8.64 52.79 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.073 179.14 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -95.81 5.57 51.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.987 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 73.49 36.77 0.76 Allowed 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.581 -0.282 . . . . 0.0 110.946 179.785 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 23.6 p -118.11 125.97 51.32 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.475 179.381 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -78.04 119.66 21.78 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.399 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 2.1 m-30 -111.67 122.91 49.07 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 121.632 0.73 . . . . 0.0 111.182 179.218 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -84.59 130.75 34.69 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 114.361 -1.29 . . . . 0.0 108.83 179.099 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -111.6 155.45 23.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 123.361 0.413 . . . . 0.0 110.295 -179.063 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.672 HD22 ' HB2' ' A' ' 72' ' ' GLU . 15.3 t-20 -91.39 118.24 30.36 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.413 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.7 pttp -65.83 -20.8 66.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.978 179.339 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.736 ' O ' ' O ' ' A' ' 73' ' ' ARG . 9.0 mm-40 -83.29 64.47 7.79 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.736 ' O ' ' O ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER 34.83 124.55 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 121.965 0.888 . . . . 0.0 111.721 179.859 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.412 ' O ' ' OE1' ' A' ' 76' ' ' GLU . 87.2 tt0 -122.47 -22.69 5.39 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.908 179.566 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.545 ' O ' ' NE ' ' A' ' 73' ' ' ARG . 59.2 m -82.49 132.66 35.2 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.247 0.546 . . . . 0.0 111.45 -179.496 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.412 ' OE1' ' O ' ' A' ' 74' ' ' GLU . 30.6 mp0 -115.71 168.61 9.88 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.408 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -49.4 -34.55 16.6 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 121.272 0.558 . . . . 0.0 109.895 -179.051 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -59.28 -32.71 70.28 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.696 179.217 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.708 ' O ' HG23 ' A' ' 83' ' ' VAL . 81.0 mm-40 -80.97 -28.81 35.48 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.331 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.511 HG21 ' N ' ' A' ' 17' ' ' TRP . 52.8 t -57.13 -50.7 75.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 C-N-CA 120.21 -0.596 . . . . 0.0 109.441 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 70.6 m80 -64.37 -41.31 96.78 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 120.255 -0.578 . . . . 0.0 110.586 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.7 mmmt -73.25 -26.85 61.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.087 0.47 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.708 HG23 ' O ' ' A' ' 79' ' ' GLU . 63.4 t -82.69 126.87 40.07 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 CA-C-O 121.523 0.678 . . . . 0.0 111.871 -179.391 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.511 ' O ' ' NE2' ' A' ' 28' ' ' GLN . 6.3 ptpp? -105.24 126.21 51.84 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.634 178.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.786 HG13 ' CD1' ' A' ' 24' ' ' LEU . 11.3 t -95.63 120.87 45.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 -178.741 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.4 ' OH ' ' OD2' ' A' ' 34' ' ' ASP . 9.3 p90 -79.35 147.19 32.5 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.416 -179.556 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 4.7 m -125.43 132.49 70.95 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 CA-C-O 121.085 0.469 . . . . 0.0 110.554 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 52.0 p90 . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 117.92 -1.038 . . . . 0.0 110.502 -179.851 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.308 0 N-CA-C 109.546 -1.422 . . . . 0.0 109.546 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 65.7 m -70.01 153.7 42.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.761 0.315 . . . . 0.0 110.461 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -63.61 144.11 57.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.636 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 12.5 ttp -138.19 -69.38 0.44 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.639 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 46.7 ttp 60.43 110.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.336 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.63 136.49 57.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.633 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.427 ' O ' ' C ' ' A' ' 4' ' ' SER . 71.8 p -136.55 157.01 47.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.093 179.611 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 3' ' ' THR . 31.5 m 35.61 -105.88 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.639 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -143.18 111.61 6.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.386 179.633 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 70.0 t -70.78 129.67 34.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.57 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -92.38 151.51 41.48 Favored Pre-proline 0 C--N 1.328 -0.344 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.765 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -68.26 150.26 76.39 Favored 'Trans proline' 0 C--N 1.31 -1.462 0 C-N-CA 122.821 2.347 . . . . 0.0 112.62 179.489 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.6 mmmt -101.04 -36.74 8.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.695 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 70.6 m -155.55 163.23 40.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.889 179.713 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.3 mp -131.44 133.04 62.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.572 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.0 t -124.29 176.96 6.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.413 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.7 mpt_? -115.76 133.92 55.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.021 0.439 . . . . 0.0 110.956 -179.625 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.428 ' HB3' HG13 ' A' ' 80' ' ' VAL . . . -65.67 154.19 39.58 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.67 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.457 ' C ' HG11 ' A' ' 80' ' ' VAL . 71.6 mmtt -98.38 -38.46 9.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.279 -178.784 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.494 ' N ' HG11 ' A' ' 80' ' ' VAL . 87.2 tttt -151.63 154.06 35.66 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.682 -179.57 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.682 ' N ' HG21 ' A' ' 80' ' ' VAL . 57.4 t90 -49.49 132.8 20.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.826 -179.77 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.09 158.37 32.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.873 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -51.22 -36.49 41.84 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.325 -178.34 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -69.22 -42.68 75.41 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.825 0.345 . . . . 0.0 110.987 179.488 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.489 HD13 ' N ' ' A' ' 21' ' ' ILE . 4.4 mm -70.42 -57.31 8.29 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.367 0 CA-C-N 116.24 -0.436 . . . . 0.0 109.946 -178.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -47.06 -46.61 22.51 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.225 -177.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.403 ' ND2' ' CE1' ' A' ' 27' ' ' PHE . 18.4 t-20 -58.69 -50.03 75.37 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.246 0.546 . . . . 0.0 110.975 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.799 ' CD1' HG13 ' A' ' 85' ' ' VAL . 77.2 mt -57.59 -41.97 82.22 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 119.719 -0.792 . . . . 0.0 110.538 -178.648 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.577 ' CD2' ' SG ' ' A' ' 75' ' ' CYS . 49.2 t80 -59.8 -49.48 77.56 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 120.386 -0.526 . . . . 0.0 111.565 178.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.52 ' NH2' ' O ' ' A' ' 70' ' ' ASN . 93.9 mtt180 -62.82 -47.46 83.31 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.648 -0.421 . . . . 0.0 111.227 -178.746 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.403 ' CE1' ' ND2' ' A' ' 23' ' ' ASN . 41.0 m-85 -65.91 -47.56 74.37 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.403 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -56.6 -41.81 77.65 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.175 -179.618 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -62.35 -38.78 90.84 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.271 178.179 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.89 -15.73 63.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.615 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 104.56 1.34 43.46 Favored Glycine 0 CA--C 1.528 0.851 0 N-CA-C 111.436 -0.666 . . . . 0.0 111.436 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.641 ' CE1' HG21 ' A' ' 41' ' ' VAL . 28.3 m-85 -102.23 145.58 29.22 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-O 121.157 0.503 . . . . 0.0 110.662 -179.495 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.42 -35.48 60.97 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.698 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.592 ' OD2' HD12 ' A' ' 36' ' ' ILE . 41.7 p-10 -164.59 174.75 10.5 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.427 179.699 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -53.56 -27.53 26.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.396 -179.124 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.592 HD12 ' OD2' ' A' ' 34' ' ' ASP . 92.1 mt -59.53 -48.54 86.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 C-N-CA 120.481 -0.488 . . . . 0.0 110.986 -179.507 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 50.6 tp10 -66.38 -40.26 89.59 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.847 0.356 . . . . 0.0 110.524 -179.686 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -59.41 -46.97 87.21 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.226 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.548 ' O ' ' N ' ' A' ' 43' ' ' GLN . 97.9 mttt -61.15 -39.09 88.77 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.725 -179.281 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.414 ' O ' ' NE2' ' A' ' 43' ' ' GLN . 91.3 mt-30 -64.09 -42.58 96.86 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.655 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.641 HG21 ' CE1' ' A' ' 32' ' ' TYR . 78.1 t -62.64 -44.32 99.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.303 -179.475 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -95.43 -1.3 51.21 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.36 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.548 ' N ' ' O ' ' A' ' 39' ' ' LYS . 93.6 mm-40 44.46 55.71 5.52 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.354 -0.539 . . . . 0.0 110.718 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.442 HG22 ' HA ' ' A' ' 39' ' ' LYS . 32.6 m -109.4 -168.53 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.3 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -120.48 -24.13 5.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.034 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -154.45 163.31 40.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.61 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 60.9 t -104.08 135.27 42.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.297 -0.411 . . . . 0.0 109.998 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -71.48 131.47 43.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.95 0.405 . . . . 0.0 110.671 -179.651 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.414 ' NE ' ' O ' ' A' ' 54' ' ' GLY . 22.3 mtp180 -142.28 170.15 16.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.484 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.49 ' CD1' ' HB3' ' A' ' 71' ' ' LYS . 88.0 m95 -97.92 143.86 26.99 Favored Pre-proline 0 C--O 1.22 -0.49 0 C-N-CA 120.183 -0.607 . . . . 0.0 111.972 -179.728 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -66.73 -21.19 51.82 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 121.942 1.762 . . . . 0.0 112.194 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -58.4 -54.37 47.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.263 -178.766 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.446 ' OG1' ' CD2' ' A' ' 55' ' ' TYR . 61.0 p -126.29 -21.23 4.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.793 179.79 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 50' ' ' TRP . . . 84.74 23.98 47.74 Favored Glycine 0 N--CA 1.463 0.476 0 C-N-CA 120.468 -0.872 . . . . 0.0 111.541 -179.665 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.446 ' CD2' ' OG1' ' A' ' 53' ' ' THR . 21.8 m-85 -90.83 160.54 15.69 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 120.209 -0.596 . . . . 0.0 110.678 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.436 HG11 HD13 ' A' ' 59' ' ' LEU . 62.0 t -56.59 123.26 7.29 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 CA-C-N 115.087 -0.96 . . . . 0.0 110.385 -178.537 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.417 ' CD ' ' CZ2' ' A' ' 50' ' ' TRP . 23.2 ttpp -73.28 -50.97 19.31 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.593 179.588 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -144.77 149.24 35.17 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.028 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.477 ' HA ' HD12 ' A' ' 59' ' ' LEU . 7.0 tp -146.76 137.45 23.88 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.333 -0.547 . . . . 0.0 110.187 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -88.86 131.1 35.25 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.497 -179.621 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.2 mtm180 -79.02 177.99 8.37 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.423 0.63 . . . . 0.0 111.267 -179.432 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.0 mmt180 -71.51 -11.35 60.82 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.268 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -93.9 10.44 33.29 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.102 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 60.8 m-20 65.66 34.89 7.33 Favored 'General case' 0 N--CA 1.465 0.311 0 O-C-N 123.569 0.543 . . . . 0.0 111.101 -179.65 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 33.9 p -118.98 130.65 55.8 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.697 179.046 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -74.66 125.2 28.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.476 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -115.35 121.33 42.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.163 -179.641 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -82.5 134.11 35.2 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.269 -0.423 . . . . 0.0 109.999 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -110.22 154.55 23.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.076 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.52 ' O ' ' NH2' ' A' ' 26' ' ' ARG . 61.8 t30 -80.26 117.52 21.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.539 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.49 ' HB3' ' CD1' ' A' ' 50' ' ' TRP . 1.5 pptp? -70.78 -10.78 60.24 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.467 179.74 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.609 ' O ' ' HB2' ' A' ' 73' ' ' ARG . 2.7 tt0 -88.95 -23.65 22.63 Favored 'General case' 0 CA--C 1.498 -1.042 0 C-N-CA 119.513 -0.875 . . . . 0.0 112.826 -178.188 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.609 ' HB2' ' O ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER 129.84 132.08 0.0 OUTLIER 'General case' 0 C--N 1.312 -1.052 0 O-C-N 126.67 2.481 . . . . 0.0 110.562 -179.567 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -119.18 -22.43 7.17 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 122.018 -0.426 . . . . 0.0 111.052 178.318 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.577 ' SG ' ' CD2' ' A' ' 25' ' ' TYR . 32.8 m -79.78 116.8 20.15 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 121.411 0.624 . . . . 0.0 111.822 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.427 ' HG2' HH12 ' A' ' 73' ' ' ARG . 35.0 mt-10 -94.39 160.07 14.83 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.927 179.153 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -48.84 -41.32 32.61 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-N 116.213 -0.449 . . . . 0.0 109.841 -178.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -61.28 -21.42 63.91 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.59 179.021 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.757 ' O ' HG23 ' A' ' 83' ' ' VAL . 4.8 tt0 -83.59 -33.61 25.33 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.062 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.682 HG21 ' N ' ' A' ' 17' ' ' TRP . 43.9 t -57.29 -50.08 77.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 C-N-CA 120.038 -0.665 . . . . 0.0 109.646 179.465 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -61.79 -44.2 97.35 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 120.327 -0.549 . . . . 0.0 110.747 179.756 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -71.93 -27.95 63.14 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.962 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.757 HG23 ' O ' ' A' ' 79' ' ' GLU . 55.2 t -77.49 138.44 20.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.136 -179.769 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.2 ptmt -113.01 141.47 46.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.817 179.279 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.799 HG13 ' CD1' ' A' ' 24' ' ' LEU . 39.5 t -108.09 125.53 64.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.465 -179.298 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.539 ' O ' ' CD1' ' A' ' 86' ' ' TYR . 0.7 OUTLIER -89.48 139.64 30.32 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.597 -179.731 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 5.0 m -128.0 128.13 68.63 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 CA-C-O 121.221 0.534 . . . . 0.0 110.799 179.739 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 24.0 p90 . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.44 179.87 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.469 ' C ' HD12 ' A' ' 11' ' ' ILE . 72.9 m . . . . . 0 N--CA 1.458 -0.058 0 CA-C-O 120.875 0.369 . . . . 0.0 110.58 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.662 ' N ' HD12 ' A' ' 11' ' ' ILE . 4.5 mp -124.33 127.13 72.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.417 179.605 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.2 m -118.85 176.19 5.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.51 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.411 ' CD ' ' N ' ' A' ' 13' ' ' ARG . 1.4 mpt_? -110.0 128.3 55.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.597 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.503 ' HB2' HD12 ' A' ' 21' ' ' ILE . . . -61.48 142.18 57.2 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.21 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -96.36 -42.5 8.1 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-O 120.96 0.409 . . . . 0.0 110.702 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.544 ' HG3' ' N ' ' A' ' 17' ' ' TRP . 0.0 OUTLIER -132.85 -171.55 2.7 Favored 'General case' 0 C--O 1.221 -0.445 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.673 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.544 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 60.6 t90 -97.05 123.9 40.91 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.763 178.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 21' ' ' ILE . 37.9 t -154.51 154.16 32.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.521 179.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 -42.97 -30.64 0.43 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.407 -179.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -68.88 -41.37 78.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.713 179.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.503 HD12 ' HB2' ' A' ' 14' ' ' ALA . 20.1 mm -77.18 -62.28 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.24 -179.469 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.548 ' OE1' ' CE1' ' A' ' 55' ' ' TYR . 39.5 tt0 -43.45 -46.88 6.95 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 -179.05 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -60.48 -50.8 72.12 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.905 179.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.658 ' CD1' HG13 ' A' ' 85' ' ' VAL . 39.4 mt -54.89 -39.18 68.46 Favored 'General case' 0 C--O 1.215 -0.723 0 C-N-CA 121.036 -0.266 . . . . 0.0 110.733 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -59.07 -49.56 77.4 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.706 0.289 . . . . 0.0 110.492 178.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 92.6 mtt180 -61.05 -49.86 75.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.804 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.406 ' CE1' HG21 ' A' ' 56' ' ' VAL . 33.3 m-85 -63.99 -49.86 70.81 Favored 'General case' 0 CA--C 1.523 -0.065 0 CA-C-O 120.903 0.383 . . . . 0.0 110.891 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -53.65 -42.1 67.48 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.304 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.422 ' O ' ' NH2' ' A' ' 61' ' ' ARG . 62.2 mm-40 -59.67 -41.24 90.19 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.845 179.205 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.69 -16.41 64.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.407 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 104.68 7.79 38.56 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.486 -0.646 . . . . 0.0 111.486 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.713 ' CE1' HG21 ' A' ' 41' ' ' VAL . 24.6 m-85 -105.3 146.44 29.34 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 120.993 0.425 . . . . 0.0 110.662 179.519 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.79 -35.43 33.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.378 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 51.5 p-10 -161.81 169.8 20.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.536 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.606 ' CD ' ' H ' ' A' ' 35' ' ' GLU . 10.8 mp0 -48.23 -34.52 10.35 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.322 -179.084 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 48.4 mm -55.01 -49.33 72.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.104 -178.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.405 ' O ' HG23 ' A' ' 41' ' ' VAL . 46.8 tp10 -63.91 -39.05 93.28 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.959 0.409 . . . . 0.0 110.83 179.583 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.627 ' CD1' HD11 ' A' ' 59' ' ' LEU . 31.7 t80 -62.47 -47.41 84.13 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.497 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.548 ' O ' ' N ' ' A' ' 43' ' ' GLN . 98.6 mttt -59.05 -40.97 86.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.105 -178.317 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -61.77 -40.13 94.09 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.859 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.713 HG21 ' CE1' ' A' ' 32' ' ' TYR . 77.4 t -61.24 -45.03 99.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.955 -179.254 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.569 ' O ' HG13 ' A' ' 44' ' ' VAL . 9.3 mmtm -99.63 4.09 45.53 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.94 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.548 ' N ' ' O ' ' A' ' 39' ' ' LYS . 21.3 mp0 46.06 55.41 7.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.945 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.569 HG13 ' O ' ' A' ' 42' ' ' LYS . 29.8 m -126.02 -172.64 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.597 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -135.33 -34.49 0.85 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.9 mmt -104.99 133.9 48.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.122 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.7 t -107.51 137.13 40.21 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.082 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -62.73 119.59 9.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.958 0.409 . . . . 0.0 110.779 -179.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 93.8 mtt-85 -140.7 158.57 43.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.672 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.473 ' O ' ' HA2' ' A' ' 54' ' ' GLY . 77.5 m95 -94.91 141.06 22.78 Favored Pre-proline 0 N--CA 1.45 -0.429 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.787 179.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.22 -31.48 44.36 Favored 'Trans proline' 0 C--N 1.303 -1.862 0 C-N-CA 122.691 2.261 . . . . 0.0 112.226 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -50.43 -52.33 38.68 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.811 -178.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.523 ' OG1' ' CD2' ' A' ' 55' ' ' TYR . 31.3 p -126.62 -33.78 2.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.218 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.473 ' HA2' ' O ' ' A' ' 50' ' ' TRP . . . 100.53 20.79 14.04 Favored Glycine 0 CA--C 1.519 0.308 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.336 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.548 ' CE1' ' OE1' ' A' ' 22' ' ' GLU . 31.4 m-85 -80.58 157.56 26.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.576 0.227 . . . . 0.0 110.578 179.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.562 HG11 HD23 ' A' ' 59' ' ' LEU . 40.2 t -67.63 127.98 30.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.864 0.364 . . . . 0.0 110.568 -179.126 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 50.9 tttm -72.29 -44.39 62.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.539 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -156.38 153.17 28.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.569 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.627 HD11 ' CD1' ' A' ' 38' ' ' TYR . 0.1 OUTLIER -146.87 131.14 17.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.951 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.605 ' N ' HD13 ' A' ' 59' ' ' LEU . 11.4 tt0 -78.87 130.01 35.19 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.122 179.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.422 ' NH2' ' O ' ' A' ' 29' ' ' GLN . 46.9 mtp180 -78.88 174.76 11.17 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.031 -178.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 11.3 ttm180 -67.48 -16.84 64.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 123.836 0.71 . . . . 0.0 110.504 179.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -87.06 2.79 48.54 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.592 -178.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 73.59 37.37 0.7 Allowed 'General case' 0 N--CA 1.451 -0.408 0 CA-C-O 120.67 0.272 . . . . 0.0 110.984 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 44.8 p -123.98 133.11 53.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.609 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -77.74 123.38 26.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.504 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -114.83 121.07 42.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.437 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -81.85 135.31 35.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.373 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -110.94 152.42 26.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.758 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.545 HD21 ' CB ' ' A' ' 72' ' ' GLU . 14.5 t30 -94.82 110.27 22.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.81 179.749 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.41 ' HG3' ' HZ2' ' A' ' 71' ' ' LYS . 6.9 pttp -60.29 -26.19 66.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.188 0.518 . . . . 0.0 110.632 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.545 ' CB ' HD21 ' A' ' 70' ' ' ASN . 13.1 mm-40 . . . . . 0 C--N 1.324 -0.512 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.492 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 99.2 mttt . . . . . 0 C--O 1.242 0.685 0 CA-C-O 121.699 0.761 . . . . 0.0 110.371 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.753 ' O ' HG23 ' A' ' 83' ' ' VAL . 0.9 OUTLIER -82.63 -32.14 28.44 Favored 'General case' 0 C--O 1.222 -0.371 0 O-C-N 121.858 -0.526 . . . . 0.0 110.501 179.574 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 54.6 t -54.29 -49.37 64.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 179.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 73.2 m80 -68.0 -40.65 82.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.922 0.391 . . . . 0.0 110.68 -179.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.83 -22.95 58.41 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.149 179.575 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 79' ' ' GLU . 71.7 t -88.34 136.15 23.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.02 0.438 . . . . 0.0 111.349 -178.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 30.6 mtmm -101.11 164.83 11.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.345 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.658 HG13 ' CD1' ' A' ' 24' ' ' LEU . 15.2 t -125.5 127.99 72.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.942 0.401 . . . . 0.0 110.122 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -91.24 137.66 32.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.701 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.43 HG22 ' O ' ' A' ' 10' ' ' SER . 4.3 m -122.2 134.42 65.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.712 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 48.6 p90 . . . . . 0 C--O 1.221 -0.415 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.551 179.803 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 74.9 m . . . . . 0 CA--C 1.526 0.055 0 CA-C-O 120.969 0.414 . . . . 0.0 110.543 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.7 mp -137.44 134.09 46.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.677 179.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.3 t -120.38 177.21 5.12 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.505 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -114.33 131.26 56.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.093 0.473 . . . . 0.0 110.536 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.553 ' HB3' HG13 ' A' ' 80' ' ' VAL . . . -64.79 153.12 40.88 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.73 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.535 ' C ' HG11 ' A' ' 80' ' ' VAL . 3.9 mptt -95.44 -40.33 9.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.299 -179.424 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -146.22 149.29 33.63 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.676 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.712 ' N ' HG21 ' A' ' 80' ' ' VAL . 53.3 t90 -53.73 139.2 33.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.992 -179.257 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.1 t -165.22 160.76 18.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.294 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -46.77 -33.31 4.28 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.539 -179.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.467 ' O ' HD23 ' A' ' 24' ' ' LEU . 81.2 mm-40 -67.33 -45.89 75.07 Favored 'General case' 0 C--O 1.219 -0.545 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.67 179.45 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.577 ' N ' HD13 ' A' ' 21' ' ' ILE . 3.2 mm -66.44 -56.91 12.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 -178.633 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.461 ' CD ' ' N ' ' A' ' 23' ' ' ASN . 1.8 tm-20 -39.33 -47.86 1.79 Allowed 'General case' 0 CA--C 1.513 -0.456 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.941 -179.395 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.493 HD22 HD22 ' A' ' 24' ' ' LEU . 1.0 OUTLIER -59.86 -50.11 75.09 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.328 0.585 . . . . 0.0 111.084 -179.878 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.667 HD12 HE21 ' A' ' 28' ' ' GLN . 3.8 mm? -53.99 -48.75 70.07 Favored 'General case' 0 C--O 1.213 -0.828 0 C-N-CA 120.474 -0.49 . . . . 0.0 110.86 -178.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -59.24 -48.89 79.93 Favored 'General case' 0 C--N 1.317 -0.845 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.306 179.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.522 ' NH2' ' O ' ' A' ' 70' ' ' ASN . 88.7 mtt180 -60.57 -48.38 82.05 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.644 -0.422 . . . . 0.0 111.146 -179.117 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.403 ' CE1' ' OD1' ' A' ' 23' ' ' ASN . 38.8 m-85 -66.91 -44.36 80.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.018 0.437 . . . . 0.0 110.426 179.586 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.667 HE21 HD12 ' A' ' 24' ' ' LEU . 60.9 mt-30 -55.85 -41.35 74.19 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.582 179.72 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -64.1 -37.76 88.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.203 178.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.671 ' HB2' HD13 ' A' ' 59' ' ' LEU . . . -66.93 -16.79 64.56 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.429 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 102.83 8.72 41.83 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.662 ' CE1' HG21 ' A' ' 41' ' ' VAL . 27.8 m-85 -109.68 146.94 33.99 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-O 121.009 0.433 . . . . 0.0 110.869 -179.718 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.407 ' H ' ' HD2' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -75.28 -35.67 61.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.245 179.608 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.536 ' CG ' ' N ' ' A' ' 35' ' ' GLU . 5.3 t70 -163.29 171.12 16.61 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.385 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.536 ' N ' ' CG ' ' A' ' 34' ' ' ASP . 8.7 pt-20 -50.63 -28.48 8.9 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.554 -179.633 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 83.6 mt -59.01 -48.98 84.88 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 C-N-CA 120.713 -0.395 . . . . 0.0 111.14 -179.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -66.45 -39.38 88.84 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.664 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.464 ' CD1' HD21 ' A' ' 59' ' ' LEU . 36.2 t80 -59.47 -47.57 84.98 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.389 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.463 ' O ' ' N ' ' A' ' 43' ' ' GLN . 44.2 mtmt -60.56 -40.01 90.08 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.97 -179.607 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -62.92 -41.66 99.54 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.862 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.662 HG21 ' CE1' ' A' ' 32' ' ' TYR . 78.7 t -63.7 -44.62 98.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.106 -179.561 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.518 ' O ' HG13 ' A' ' 44' ' ' VAL . 25.2 mmtp -91.57 -1.13 57.6 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.782 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 39' ' ' LYS . 97.9 mt-30 50.6 48.63 22.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.77 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.518 HG13 ' O ' ' A' ' 42' ' ' LYS . 28.2 m -127.59 -174.24 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.399 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -141.42 23.44 2.15 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.778 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 4.4 mtp -158.58 139.82 13.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.816 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.0 t -111.94 135.26 51.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -67.29 118.58 10.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.476 -179.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 31.3 mtt180 -137.04 166.08 24.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.573 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.509 ' O ' ' N ' ' A' ' 54' ' ' GLY . 71.8 m95 -95.85 140.61 22.38 Favored Pre-proline 0 C--O 1.218 -0.553 0 C-N-CA 120.288 -0.565 . . . . 0.0 111.101 -179.569 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -65.71 -30.52 50.44 Favored 'Trans proline' 0 C--N 1.302 -1.914 0 C-N-CA 122.446 2.098 . . . . 0.0 112.697 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.492 ' OE1' ' CE ' ' A' ' 71' ' ' LYS . 96.3 mt-10 -52.59 -49.68 64.56 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.681 -178.221 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.514 ' OG1' ' CD2' ' A' ' 55' ' ' TYR . 71.3 p -125.2 -31.04 3.11 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.961 -0.296 . . . . 0.0 111.036 179.557 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 50' ' ' TRP . . . 94.95 18.87 32.89 Favored Glycine 0 N--CA 1.464 0.534 0 C-N-CA 120.669 -0.776 . . . . 0.0 111.335 -179.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.514 ' CD2' ' OG1' ' A' ' 53' ' ' THR . 25.0 m-85 -81.4 158.36 24.66 Favored 'General case' 0 CA--C 1.515 -0.373 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.981 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.515 ' O ' ' NH1' ' A' ' 26' ' ' ARG . 87.2 t -61.59 122.48 12.32 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.681 -178.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 44.5 tttm -72.96 -45.38 58.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.556 179.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -151.79 153.04 33.5 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.596 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.671 HD13 ' HB2' ' A' ' 30' ' ' ALA . 0.4 OUTLIER -146.07 138.04 25.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.779 179.577 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.611 ' H ' HD23 ' A' ' 59' ' ' LEU . 22.1 tt0 -85.21 132.64 34.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.952 0.406 . . . . 0.0 110.494 179.52 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.1 mmm180 -76.42 166.32 23.58 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.789 -179.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 10.1 mtt-85 -66.26 -7.1 16.39 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.235 179.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.438 ' O ' ' CB ' ' A' ' 64' ' ' ASN . 98.0 m-20 -101.87 8.35 41.27 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.17 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.438 ' CB ' ' O ' ' A' ' 63' ' ' ASP . 2.1 m-20 79.76 -2.95 2.06 Favored 'General case' 0 C--O 1.233 0.228 0 O-C-N 123.284 0.365 . . . . 0.0 110.679 179.506 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 24.3 p -80.86 126.68 31.64 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.57 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -71.97 131.14 42.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.528 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -119.93 116.64 26.2 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.01 0.433 . . . . 0.0 110.259 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -82.42 139.34 34.07 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.485 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -114.22 150.95 33.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.982 179.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.522 ' O ' ' NH2' ' A' ' 26' ' ' ARG . 5.0 p-10 -98.17 124.2 42.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.596 179.595 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.492 ' CE ' ' OE1' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -64.3 -17.36 63.58 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.379 0.609 . . . . 0.0 110.627 179.423 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 . . . . . 0 C--N 1.321 -0.673 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 -179.803 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.9 mmmt . . . . . 0 N--CA 1.456 -0.164 0 CA-C-O 120.868 0.366 . . . . 0.0 110.678 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 83' ' ' VAL . 5.5 mm-40 -80.41 -30.94 37.72 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.968 -0.293 . . . . 0.0 110.478 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.712 HG21 ' N ' ' A' ' 17' ' ' TRP . 55.5 t -58.35 -41.83 82.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 179.203 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 77.9 m80 -69.34 -40.99 77.21 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.436 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 30.9 mttm -76.21 -27.6 56.9 Favored 'General case' 0 CA--C 1.528 0.127 0 CA-C-O 120.863 0.363 . . . . 0.0 110.798 179.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.476 ' N ' ' O ' ' A' ' 79' ' ' GLU . 73.8 t -88.45 135.61 25.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.786 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.475 ' O ' ' NE2' ' A' ' 28' ' ' GLN . 14.0 mttp -113.08 157.55 21.45 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.295 -179.692 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 60.4 t -119.17 122.51 69.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.43 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.585 ' CD1' ' O ' ' A' ' 86' ' ' TYR . 0.2 OUTLIER -78.83 148.56 32.8 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.675 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.0 m -128.62 125.82 64.19 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.461 179.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 22.0 p90 . . . . . 0 C--O 1.221 -0.412 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.605 179.783 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 55.6 m . . . . . 0 N--CA 1.456 -0.134 0 CA-C-O 120.853 0.359 . . . . 0.0 110.632 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.6 mp -131.57 133.58 61.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.414 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.6 t -123.91 178.77 5.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.547 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -116.7 131.14 57.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.603 179.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.459 ' HB2' HD12 ' A' ' 21' ' ' ILE . . . -64.57 150.22 47.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.724 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt -92.63 -39.85 11.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.383 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.0 tttp -135.06 -172.14 2.98 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.736 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.417 ' HE1' ' HB2' ' A' ' 22' ' ' GLU . 63.2 t90 -96.37 124.52 40.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.704 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.479 ' O ' ' N ' ' A' ' 21' ' ' ILE . 52.8 m -148.78 152.6 36.82 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.677 179.488 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -42.74 -26.33 0.12 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.969 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.419 ' N ' ' C ' ' A' ' 18' ' ' SER . 98.1 mt-10 -69.86 -40.89 75.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.472 179.317 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.479 ' N ' ' O ' ' A' ' 18' ' ' SER . 6.8 mm -71.85 -59.26 3.59 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.37 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.067 -179.57 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.536 ' OE1' ' N ' ' A' ' 23' ' ' ASN . 3.1 tm-20 -45.1 -47.18 12.06 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.199 -178.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.536 ' N ' ' OE1' ' A' ' 22' ' ' GLU . 1.0 OUTLIER -60.0 -51.36 69.98 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.284 -179.702 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.801 ' CD1' HG13 ' A' ' 85' ' ' VAL . 75.9 mt -56.87 -40.04 75.45 Favored 'General case' 0 CA--C 1.51 -0.566 0 C-N-CA 120.332 -0.547 . . . . 0.0 110.488 -178.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -60.98 -49.11 78.78 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.561 178.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.407 ' NH2' ' O ' ' A' ' 70' ' ' ASN . 93.5 mtt180 -60.95 -47.51 86.12 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.955 -179.281 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -65.43 -47.18 77.09 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.486 179.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -55.7 -40.42 72.36 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.819 -179.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -60.8 -40.0 91.03 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.866 0.365 . . . . 0.0 110.024 178.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.86 -17.32 64.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.347 179.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 104.25 6.68 41.71 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.653 ' CE1' HG21 ' A' ' 41' ' ' VAL . 28.6 m-85 -104.91 146.18 29.38 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 120.89 0.376 . . . . 0.0 111.135 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.8 -35.24 57.76 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.453 179.555 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -164.79 172.15 13.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.535 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -49.98 -31.34 12.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.627 -178.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 88.7 mt -56.97 -49.55 78.89 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 C-N-CA 120.548 -0.461 . . . . 0.0 111.007 -178.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -64.84 -39.84 94.21 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.994 0.426 . . . . 0.0 110.444 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.587 ' CD1' HD11 ' A' ' 59' ' ' LEU . 34.4 t80 -59.93 -45.88 91.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.084 179.58 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.567 ' O ' ' N ' ' A' ' 43' ' ' GLN . 60.4 mttp -58.72 -39.72 81.64 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.031 -179.162 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.536 ' O ' ' NE2' ' A' ' 43' ' ' GLN . 62.9 tt0 -60.88 -43.21 98.75 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.55 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.653 HG21 ' CE1' ' A' ' 32' ' ' TYR . 79.7 t -62.1 -43.71 98.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.121 -179.371 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.57 ' O ' HG13 ' A' ' 44' ' ' VAL . 31.7 mmtp -95.15 -0.63 53.14 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.763 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.567 ' N ' ' O ' ' A' ' 39' ' ' LYS . 83.0 mm-40 48.33 52.08 14.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.943 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.57 HG13 ' O ' ' A' ' 42' ' ' LYS . 31.5 m -127.38 -175.17 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.532 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -137.21 26.6 2.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.957 -179.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 19.5 ptm -162.45 152.23 16.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.773 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 15.9 t -125.07 134.52 66.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.012 179.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -60.05 129.23 40.76 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.672 -179.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -144.61 157.28 44.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.992 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.4 ' HE1' ' HA ' ' A' ' 57' ' ' LYS . 69.8 m95 -95.81 141.45 23.19 Favored Pre-proline 0 C--O 1.22 -0.475 0 C-N-CA 120.046 -0.662 . . . . 0.0 111.24 -179.786 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -65.83 -27.84 51.37 Favored 'Trans proline' 0 C--N 1.302 -1.872 0 C-N-CA 122.37 2.047 . . . . 0.0 112.557 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -53.46 -52.94 57.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.705 -178.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.481 ' OG1' ' CD2' ' A' ' 55' ' ' TYR . 30.3 p -127.2 -31.99 2.52 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.526 -0.307 . . . . 0.0 110.974 179.721 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 99.84 21.28 14.38 Favored Glycine 0 N--CA 1.464 0.541 0 C-N-CA 120.578 -0.82 . . . . 0.0 111.279 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.481 ' CD2' ' OG1' ' A' ' 53' ' ' THR . 28.6 m-85 -81.17 155.21 26.3 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.552 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 94.2 t -61.69 127.29 21.25 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.157 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.495 -179.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.4 ' HA ' ' HE1' ' A' ' 50' ' ' TRP . 50.5 tttm -73.65 -47.16 42.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.872 179.607 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -154.38 151.64 29.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.709 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.607 HD13 ' N ' ' A' ' 60' ' ' GLN . 0.1 OUTLIER -147.28 130.46 16.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.82 179.387 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.607 ' N ' HD13 ' A' ' 59' ' ' LEU . 33.5 tt0 -78.34 135.07 37.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.003 0.43 . . . . 0.0 110.671 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -76.82 171.68 14.34 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.959 -179.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.4 -6.66 31.48 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.249 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -100.15 10.64 40.94 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.087 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 69.81 37.98 1.72 Allowed 'General case' 0 N--CA 1.455 -0.184 0 CA-C-O 120.587 0.232 . . . . 0.0 111.135 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 35.8 p -120.64 128.78 53.32 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.395 179.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -75.46 124.09 26.56 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.798 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -118.15 123.98 46.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.3 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -92.94 132.7 36.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.485 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -105.33 155.67 18.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.913 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.407 ' O ' ' NH2' ' A' ' 26' ' ' ARG . 2.7 p30 -97.05 126.91 42.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.349 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.6 pttt -69.07 -21.51 64.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.376 0.608 . . . . 0.0 110.668 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 . . . . . 0 C--N 1.323 -0.587 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.158 -179.564 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.237 0.428 0 CA-C-O 120.951 0.405 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.718 ' O ' HG23 ' A' ' 83' ' ' VAL . 8.3 mm-40 -80.56 -35.86 33.8 Favored 'General case' 0 C--O 1.218 -0.557 0 CA-C-O 121.204 0.526 . . . . 0.0 110.742 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 89.7 t -59.26 -42.23 86.46 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 C-N-CA 120.145 -0.622 . . . . 0.0 110.3 -179.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 77.7 m-70 -70.37 -42.34 71.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.971 -0.558 . . . . 0.0 112.409 -178.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.82 -19.15 52.78 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.33 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.718 HG23 ' O ' ' A' ' 79' ' ' GLU . 59.7 t -83.97 135.68 24.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.112 179.565 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 58.2 pttt -107.55 156.43 19.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.223 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.801 HG13 ' CD1' ' A' ' 24' ' ' LEU . 20.7 t -125.97 125.09 67.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.88 0.371 . . . . 0.0 110.147 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.574 ' CD1' ' O ' ' A' ' 86' ' ' TYR . 0.3 OUTLIER -90.27 145.58 24.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.774 -179.812 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.2 m -129.37 124.74 60.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.975 0.417 . . . . 0.0 110.759 179.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 51.8 p90 . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.951 -1.023 . . . . 0.0 110.417 179.828 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 74.7 m . . . . . 0 N--CA 1.456 -0.132 0 CA-C-O 120.777 0.322 . . . . 0.0 110.679 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.4 mp -129.06 133.89 65.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.734 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.2 t -125.39 178.25 5.72 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.528 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.3 mmt180 -117.63 133.05 56.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.64 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.521 ' HB2' HD12 ' A' ' 21' ' ' ILE . . . -67.09 148.79 51.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.656 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.3 mtpp -117.93 14.26 14.15 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.504 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.631 ' N ' HG11 ' A' ' 80' ' ' VAL . 20.3 ttmt -169.53 165.76 10.27 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.761 179.19 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 59.3 t90 -95.66 123.45 39.22 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.838 0.351 . . . . 0.0 111.341 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.8 m -154.18 155.62 35.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.65 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -44.12 -28.04 0.45 Allowed 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -69.75 -45.62 67.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.939 0.4 . . . . 0.0 110.719 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.521 HD12 ' HB2' ' A' ' 14' ' ' ALA . 21.3 mm -74.38 -61.91 1.52 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.275 0 C-N-CA 120.496 -0.481 . . . . 0.0 109.967 -179.072 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.6 tp10 -44.59 -47.54 10.34 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-O 120.926 0.393 . . . . 0.0 110.178 -178.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.71 -49.64 74.55 Favored 'General case' 0 C--N 1.317 -0.806 0 C-N-CA 120.412 -0.515 . . . . 0.0 110.691 -179.585 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.664 ' CD1' HG13 ' A' ' 85' ' ' VAL . 47.3 mt -54.58 -39.56 67.91 Favored 'General case' 0 C--O 1.212 -0.885 0 C-N-CA 120.561 -0.455 . . . . 0.0 110.564 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 78.1 t80 -61.31 -47.76 84.44 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 120.716 0.293 . . . . 0.0 110.394 178.13 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.495 ' O ' ' HG3' ' A' ' 29' ' ' GLN . 66.6 mtt180 -60.58 -48.5 81.5 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-O 121.238 0.542 . . . . 0.0 110.46 -179.026 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.504 ' CD2' HD21 ' A' ' 59' ' ' LEU . 40.4 m-85 -67.74 -45.19 75.72 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.187 0.518 . . . . 0.0 110.714 179.472 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -57.61 -46.38 84.16 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.405 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.495 ' HG3' ' O ' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -65.22 -20.6 66.51 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.836 0.35 . . . . 0.0 110.74 -179.837 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.66 -12.58 53.62 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.104 -179.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 101.67 0.81 52.77 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.421 -0.672 . . . . 0.0 111.421 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.509 ' CD2' ' OE2' ' A' ' 37' ' ' GLU . 23.9 m-85 -103.49 147.26 27.37 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 120.971 0.415 . . . . 0.0 110.326 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.44 -37.84 42.71 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.937 179.115 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.59 ' OD2' HD12 ' A' ' 36' ' ' ILE . 26.3 p-10 -163.3 171.45 16.12 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.5 179.449 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -48.15 -29.91 4.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.515 -179.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.59 HD12 ' OD2' ' A' ' 34' ' ' ASP . 93.6 mt -56.45 -50.08 74.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 C-N-CA 120.627 -0.429 . . . . 0.0 111.095 -178.38 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.509 ' OE2' ' CD2' ' A' ' 32' ' ' TYR . 10.6 tt0 -65.03 -39.09 92.85 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.99 0.424 . . . . 0.0 110.639 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -60.51 -45.21 94.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.886 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.555 ' O ' ' N ' ' A' ' 43' ' ' GLN . 2.9 mtpm? -61.52 -39.81 92.36 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.08 -179.341 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.475 HE21 HG22 ' A' ' 36' ' ' ILE . 76.4 mt-30 -60.52 -46.28 90.72 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.743 -0.383 . . . . 0.0 111.188 -179.274 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 51.5 t -64.25 -41.26 91.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.436 179.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.562 ' O ' HG13 ' A' ' 44' ' ' VAL . 19.4 mmtp -89.27 -5.09 57.87 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.102 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.555 ' N ' ' O ' ' A' ' 39' ' ' LYS . 66.6 mt-30 50.26 48.29 22.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.774 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.562 HG13 ' O ' ' A' ' 42' ' ' LYS . 28.6 m -128.92 -173.92 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.51 -179.699 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -139.46 18.81 2.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.728 -179.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.92 151.98 24.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.647 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 17.1 t -124.5 135.53 63.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.09 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -66.76 131.23 45.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.746 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 55.0 mtt180 -140.97 167.13 22.92 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.568 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.455 ' O ' ' N ' ' A' ' 54' ' ' GLY . 70.2 m95 -96.95 139.69 21.69 Favored Pre-proline 0 C--O 1.219 -0.501 0 C-N-CA 120.373 -0.531 . . . . 0.0 111.133 -179.655 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -65.06 -28.37 57.23 Favored 'Trans proline' 0 C--N 1.302 -1.904 0 C-N-CA 122.68 2.254 . . . . 0.0 112.393 -179.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -51.22 -52.92 40.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.746 -178.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.539 ' OG1' ' CD2' ' A' ' 55' ' ' TYR . 33.7 p -126.9 -28.64 2.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.842 0.353 . . . . 0.0 110.883 179.425 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 50' ' ' TRP . . . 94.61 23.49 21.06 Favored Glycine 0 N--CA 1.462 0.383 0 C-N-CA 120.666 -0.778 . . . . 0.0 111.326 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.539 ' CD2' ' OG1' ' A' ' 53' ' ' THR . 24.9 m-85 -80.58 161.55 24.7 Favored 'General case' 0 CA--C 1.516 -0.353 0 C-N-CA 121.061 -0.256 . . . . 0.0 110.836 179.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.434 HG11 HD13 ' A' ' 59' ' ' LEU . 89.5 t -60.38 124.62 15.08 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.231 -179.343 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 47.4 tttm -77.95 -48.93 15.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.134 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 58.4 pttt -142.72 144.87 32.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.244 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.504 HD21 ' CD2' ' A' ' 27' ' ' PHE . 6.1 tp -146.87 122.23 10.29 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.097 0.475 . . . . 0.0 110.667 179.461 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -80.54 134.07 35.89 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.362 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.7 mtm180 -74.84 169.57 17.65 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.746 -178.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 -69.39 -5.99 27.16 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.29 178.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -100.19 11.49 39.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.784 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 39.7 m-20 66.13 36.69 5.49 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 123.476 0.485 . . . . 0.0 111.126 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 20.0 p -117.06 126.44 52.86 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.242 178.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -70.03 122.1 18.72 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.633 -179.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -123.53 113.14 18.33 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.024 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -82.94 137.81 34.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.769 -179.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.461 ' OH ' ' CG ' ' A' ' 29' ' ' GLN . 45.6 m-85 -106.03 153.82 21.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.382 179.337 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -97.11 137.31 36.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.797 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.7 pttm -78.67 -26.5 45.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.312 0.577 . . . . 0.0 110.524 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 . . . . . 0 C--N 1.323 -0.563 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 179.34 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.5 pttp . . . . . 0 CA--C 1.528 0.126 0 CA-C-O 120.954 0.407 . . . . 0.0 110.815 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.62 ' O ' HG23 ' A' ' 83' ' ' VAL . 6.9 mt-10 -82.99 -31.83 27.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.955 0.407 . . . . 0.0 110.442 179.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.631 HG11 ' N ' ' A' ' 16' ' ' LYS . 58.6 t -56.27 -47.68 80.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 C-N-CA 120.433 -0.507 . . . . 0.0 110.234 -179.562 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 60.4 t-80 -71.11 -41.55 70.41 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.045 -179.122 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.91 -25.29 63.61 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.992 179.719 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 79' ' ' GLU . 77.2 t -86.15 137.28 21.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.644 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 46.8 pttt -106.82 159.3 16.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.315 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.664 HG13 ' CD1' ' A' ' 24' ' ' LEU . 2.6 t -125.3 112.82 32.71 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.345 179.432 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.439 ' OH ' ' OD2' ' A' ' 34' ' ' ASP . 3.2 p90 -82.02 141.74 32.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.362 -179.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.7 m -127.58 122.85 60.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 121.136 0.493 . . . . 0.0 110.728 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 46.9 p90 . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.936 -1.03 . . . . 0.0 110.47 179.836 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 70.0 m . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.753 0.311 . . . . 0.0 110.664 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.5 mp -129.0 131.12 68.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.591 179.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 44.0 t -119.08 176.17 5.43 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.446 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -111.33 129.83 55.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.709 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.52 144.72 53.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.414 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.579 ' C ' HG11 ' A' ' 80' ' ' VAL . 6.4 mptt -99.85 -41.68 7.14 Favored 'General case' 0 CA--C 1.523 -0.094 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.846 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.1 tttp -132.27 -173.7 3.23 Favored 'General case' 0 C--O 1.227 -0.107 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.011 179.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.435 ' NE1' ' HB2' ' A' ' 22' ' ' GLU . 35.1 t90 -98.25 130.38 44.96 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.899 179.733 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.403 ' O ' ' N ' ' A' ' 21' ' ' ILE . 83.5 p -160.74 159.57 30.29 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.286 178.73 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -43.07 -31.45 0.55 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.537 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -69.26 -43.6 73.61 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.837 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.403 ' N ' ' O ' ' A' ' 18' ' ' SER . 11.8 mm -77.49 -61.43 1.71 Allowed 'Isoleucine or valine' 0 CA--C 1.519 -0.227 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.274 -179.538 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.435 ' HB2' ' NE1' ' A' ' 17' ' ' TRP . 88.3 tt0 -43.75 -46.33 7.58 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-O 121.279 0.561 . . . . 0.0 109.943 -178.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -59.75 -49.36 78.03 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.67 179.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.784 ' CD1' HG13 ' A' ' 85' ' ' VAL . 23.9 mt -55.16 -39.19 69.23 Favored 'General case' 0 C--O 1.219 -0.545 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.178 -179.336 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -60.17 -48.2 82.72 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.402 178.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.528 ' NH2' ' O ' ' A' ' 70' ' ' ASN . 94.1 mtt180 -60.82 -49.45 77.44 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.547 -179.125 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.482 ' CD2' HD21 ' A' ' 59' ' ' LEU . 30.7 m-85 -64.62 -47.43 78.58 Favored 'General case' 0 N--CA 1.462 0.173 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.728 179.629 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.427 ' NE2' ' O ' ' A' ' 84' ' ' LYS . 62.7 mt-30 -54.6 -42.48 71.17 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 -179.544 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -60.6 -38.73 85.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.36 178.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.22 -19.07 64.72 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.3 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.474 ' O ' ' CZ ' ' A' ' 62' ' ' ARG . . . 105.84 8.88 33.69 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 111.316 -0.714 . . . . 0.0 111.316 -179.592 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.704 ' CE1' HG21 ' A' ' 41' ' ' VAL . 23.5 m-85 -110.8 146.8 35.76 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 121.086 0.47 . . . . 0.0 110.819 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.69 -34.65 45.99 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.496 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.426 ' OD2' ' N ' ' A' ' 35' ' ' GLU . 17.7 t70 -165.46 175.13 9.3 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.669 -179.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.526 ' OE2' ' NH2' ' A' ' 49' ' ' ARG . 98.0 mt-10 -48.99 -36.83 18.54 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.167 -178.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 18.7 mm -49.32 -59.22 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.121 -179.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 48.4 tp10 -60.54 -39.27 87.28 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.823 0.344 . . . . 0.0 110.74 -178.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -59.87 -46.02 90.65 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.231 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.52 ' O ' ' N ' ' A' ' 43' ' ' GLN . 62.9 mttm -60.11 -41.11 91.87 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.651 -0.25 . . . . 0.0 110.933 -179.215 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 -60.44 -43.68 96.56 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.793 0.33 . . . . 0.0 110.595 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.704 HG21 ' CE1' ' A' ' 32' ' ' TYR . 70.2 t -61.54 -43.96 97.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.949 -179.494 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.682 ' O ' HG13 ' A' ' 44' ' ' VAL . 28.5 mmtp -93.75 1.0 56.63 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.809 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.52 ' N ' ' O ' ' A' ' 39' ' ' LYS . 95.7 mt-30 46.9 50.42 13.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.77 179.69 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.682 HG13 ' O ' ' A' ' 42' ' ' LYS . 26.7 m -129.74 -173.0 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.568 -179.614 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.516 ' C ' ' NZ ' ' A' ' 39' ' ' LYS . . . -143.76 30.14 1.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.738 -179.675 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.8 mtt -161.94 127.4 3.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 43.6 t -105.21 130.42 56.44 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -60.42 127.68 32.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.965 0.412 . . . . 0.0 110.624 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.526 ' NH2' ' OE2' ' A' ' 35' ' ' GLU . 74.3 mtt180 -144.08 159.29 42.87 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.075 -179.619 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.492 ' O ' ' N ' ' A' ' 54' ' ' GLY . 70.6 m95 -91.04 138.26 26.1 Favored Pre-proline 0 CA--C 1.535 0.384 0 C-N-CA 119.982 -0.687 . . . . 0.0 111.136 -179.621 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -63.8 -32.78 66.84 Favored 'Trans proline' 0 C--N 1.303 -1.855 0 C-N-CA 122.492 2.128 . . . . 0.0 112.923 -178.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.676 ' CD ' ' HZ3' ' A' ' 71' ' ' LYS . 47.0 mt-10 -52.33 -48.19 65.59 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.824 -178.532 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -126.09 -37.93 2.21 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.75 0.309 . . . . 0.0 111.111 179.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 50' ' ' TRP . . . 101.26 18.1 20.33 Favored Glycine 0 CA--C 1.521 0.463 0 C-N-CA 120.611 -0.804 . . . . 0.0 111.202 -179.333 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -77.44 163.18 26.6 Favored 'General case' 0 CA--C 1.519 -0.238 0 O-C-N 122.437 -0.449 . . . . 0.0 110.509 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.438 HG11 HD13 ' A' ' 59' ' ' LEU . 63.9 t -67.33 122.29 18.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 O-C-N 123.414 0.446 . . . . 0.0 111.025 -178.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -73.69 -51.04 17.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.724 179.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 62.4 pttt -145.62 150.15 35.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.234 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.482 HD21 ' CD2' ' A' ' 27' ' ' PHE . 5.4 tp -147.41 141.18 25.7 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 121.125 0.488 . . . . 0.0 110.705 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -93.22 134.07 35.79 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.774 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.432 ' HE ' ' HB2' ' A' ' 67' ' ' PHE . 22.4 mtt180 -76.87 170.3 16.73 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.26 0.552 . . . . 0.0 110.96 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.474 ' CZ ' ' O ' ' A' ' 31' ' ' GLY . 4.5 tpp180 -68.03 -9.33 44.99 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.262 179.398 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.42 ' O ' ' CB ' ' A' ' 64' ' ' ASN . 94.4 m-20 -97.92 7.28 46.61 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.107 -179.609 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.42 ' CB ' ' O ' ' A' ' 63' ' ' ASP . 1.9 m-20 79.03 -6.81 1.85 Allowed 'General case' 0 CA--C 1.52 -0.177 0 O-C-N 123.258 0.349 . . . . 0.0 110.392 179.481 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 18.2 p -75.22 125.39 28.86 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -74.98 128.98 36.85 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.598 -179.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.432 ' HB2' ' HE ' ' A' ' 61' ' ' ARG . 33.4 t80 -124.54 116.27 22.19 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 120.961 0.41 . . . . 0.0 109.972 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -81.34 143.34 32.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.399 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -117.55 153.35 33.36 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.732 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.528 ' O ' ' NH2' ' A' ' 26' ' ' ARG . 0.3 OUTLIER -96.66 126.63 41.97 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.029 -179.876 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.676 ' HZ3' ' CD ' ' A' ' 52' ' ' GLU . 13.4 pttt -58.0 -24.66 59.11 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.41 0.624 . . . . 0.0 110.688 -179.544 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.52 ' CB ' ' OD1' ' A' ' 70' ' ' ASN . 2.4 tt0 . . . . . 0 C--N 1.324 -0.501 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.827 -178.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.249 0 CA-C-O 121.167 0.508 . . . . 0.0 110.612 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.691 ' O ' HG23 ' A' ' 83' ' ' VAL . 74.5 mt-10 -81.79 -30.08 32.43 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 109.946 -0.391 . . . . 0.0 109.946 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.579 HG11 ' C ' ' A' ' 15' ' ' LYS . 63.8 t -56.79 -47.5 82.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 179.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -64.89 -42.94 94.37 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.741 179.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 33.5 mtmt -74.84 -24.81 58.66 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.231 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.691 HG23 ' O ' ' A' ' 79' ' ' GLU . 68.3 t -83.88 130.75 35.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.322 0.582 . . . . 0.0 111.56 -179.446 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.427 ' O ' ' NE2' ' A' ' 28' ' ' GLN . 22.6 pttm -109.4 142.76 39.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.109 179.58 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.784 HG13 ' CD1' ' A' ' 24' ' ' LEU . 2.6 t -107.75 124.31 63.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.914 0.387 . . . . 0.0 110.774 -178.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.568 ' CD1' ' O ' ' A' ' 86' ' ' TYR . 0.3 OUTLIER -89.77 146.8 24.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.845 179.807 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 4.2 m -128.45 128.54 68.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.989 0.423 . . . . 0.0 110.406 179.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 44.8 p90 . . . . . 0 C--O 1.218 -0.582 0 CA-C-O 118.065 -0.969 . . . . 0.0 110.555 179.869 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 49.2 m . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.968 0.413 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.8 mp -129.63 128.88 66.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.504 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 67.8 m -118.88 175.93 5.52 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.387 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? -117.15 132.63 56.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.637 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.436 ' O ' HG12 ' A' ' 80' ' ' VAL . . . -69.62 151.97 45.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.963 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.637 ' C ' HG11 ' A' ' 80' ' ' VAL . 34.8 mmtm -96.07 -39.75 9.58 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.554 -179.635 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.1 tptm -131.39 -174.88 3.52 Favored 'General case' 0 C--N 1.334 -0.086 0 CA-C-O 121.079 0.466 . . . . 0.0 110.916 179.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.419 ' HZ2' ' HH ' ' A' ' 55' ' ' TYR . 66.5 t90 -95.67 125.89 40.56 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.674 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.486 ' O ' ' N ' ' A' ' 21' ' ' ILE . 42.5 t -150.34 151.81 33.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.498 179.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -42.15 -27.16 0.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.252 -179.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 18' ' ' SER . 98.9 mt-10 -69.47 -40.5 77.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.749 179.374 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.486 ' N ' ' O ' ' A' ' 18' ' ' SER . 4.6 mm -72.76 -59.31 3.51 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.164 -179.004 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.41 ' HB2' ' HE1' ' A' ' 17' ' ' TRP . 32.0 tp10 -48.01 -48.6 32.71 Favored 'General case' 0 CA--C 1.512 -0.503 0 C-N-CA 120.489 -0.484 . . . . 0.0 110.104 -178.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -56.61 -52.06 66.28 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 120.488 -0.485 . . . . 0.0 111.079 -179.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.791 ' CD1' HG13 ' A' ' 85' ' ' VAL . 64.7 mt -55.65 -40.39 72.17 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.097 -179.04 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -60.95 -48.13 83.23 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.802 0.334 . . . . 0.0 110.152 178.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.456 ' NH1' ' O ' ' A' ' 56' ' ' VAL . 87.2 mtt180 -61.95 -50.09 73.53 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.631 -0.427 . . . . 0.0 111.113 -179.265 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.412 ' CE1' HG21 ' A' ' 56' ' ' VAL . 33.4 m-85 -63.19 -47.77 81.18 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.3 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -55.89 -40.59 73.22 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.523 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 73.5 mm-40 -63.58 -38.41 91.04 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.475 177.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.673 ' HB2' HD13 ' A' ' 59' ' ' LEU . . . -68.87 -17.48 63.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.478 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.508 ' O ' ' NE ' ' A' ' 62' ' ' ARG . . . 104.97 7.99 37.36 Favored Glycine 0 CA--C 1.527 0.82 0 N-CA-C 111.255 -0.738 . . . . 0.0 111.255 -179.711 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.637 ' CE1' HG21 ' A' ' 41' ' ' VAL . 25.6 m-85 -111.98 147.05 36.74 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-O 120.936 0.398 . . . . 0.0 110.449 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -77.08 -34.31 56.99 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.847 179.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.455 ' OD2' ' OH ' ' A' ' 86' ' ' TYR . 51.7 p-10 -165.82 176.54 7.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.514 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -49.7 -37.49 29.21 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.502 -179.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 31.8 mm -52.8 -56.42 7.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.084 -179.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 52.4 tp10 -60.5 -39.98 89.69 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.006 0.432 . . . . 0.0 110.486 -179.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.484 ' CE2' HG22 ' A' ' 47' ' ' VAL . 43.4 t80 -60.99 -47.42 86.52 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.461 179.64 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.476 ' O ' ' N ' ' A' ' 43' ' ' GLN . 43.9 mttm -60.42 -41.14 93.33 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.12 -178.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -62.36 -42.6 99.53 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.636 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.637 HG21 ' CE1' ' A' ' 32' ' ' TYR . 75.8 t -62.56 -44.94 99.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.203 -179.372 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.683 ' O ' HG13 ' A' ' 44' ' ' VAL . 72.3 mmtt -94.8 4.2 54.1 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 -179.647 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.476 ' N ' ' O ' ' A' ' 39' ' ' LYS . 19.3 mp0 46.15 50.49 11.82 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.619 179.195 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.683 HG13 ' O ' ' A' ' 42' ' ' LYS . 26.7 m -127.6 -171.61 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.548 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.448 ' C ' ' NZ ' ' A' ' 39' ' ' LYS . . . -144.77 22.36 1.61 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.762 -179.591 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.47 ' O ' ' SD ' ' A' ' 46' ' ' MET . 0.0 OUTLIER -161.27 143.22 11.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.678 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.484 HG22 ' CE2' ' A' ' 38' ' ' TYR . 12.2 t -116.94 137.38 51.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.239 -179.722 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -69.06 120.62 15.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.319 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.492 ' CZ ' ' O ' ' A' ' 54' ' ' GLY . 22.2 mtm180 -136.52 165.87 24.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.544 -179.376 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.525 ' O ' ' N ' ' A' ' 54' ' ' GLY . 68.9 m95 -94.15 140.43 22.85 Favored Pre-proline 0 C--O 1.217 -0.637 0 C-N-CA 120.362 -0.535 . . . . 0.0 111.081 -179.457 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -65.78 -30.69 49.62 Favored 'Trans proline' 0 C--N 1.3 -1.976 0 C-N-CA 122.456 2.104 . . . . 0.0 112.61 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 52.3 mp0 -56.37 -50.55 71.23 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.153 -178.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.412 ' HB ' ' CE2' ' A' ' 55' ' ' TYR . 24.7 p -119.57 -31.06 4.68 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.706 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 50' ' ' TRP . . . 90.54 18.46 48.58 Favored Glycine 0 N--CA 1.465 0.586 0 C-N-CA 120.62 -0.8 . . . . 0.0 111.112 -179.587 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.419 ' HH ' ' HZ2' ' A' ' 17' ' ' TRP . 23.3 m-85 -83.75 159.67 21.42 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.81 0.338 . . . . 0.0 111.088 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.456 ' O ' ' NH1' ' A' ' 26' ' ' ARG . 87.4 t -59.19 124.26 13.08 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.604 -178.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.403 ' HA ' ' HE1' ' A' ' 50' ' ' TRP . 77.5 tttt -77.67 -48.76 16.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.768 179.623 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 62.3 pttt -141.2 146.19 36.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.024 -179.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.673 HD13 ' HB2' ' A' ' 30' ' ' ALA . 0.4 OUTLIER -145.41 137.82 25.82 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.955 179.325 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.47 ' H ' HD23 ' A' ' 59' ' ' LEU . 14.0 tt0 -90.07 131.63 35.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.883 0.373 . . . . 0.0 110.317 179.443 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.9 mmm180 -73.77 165.28 25.39 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 -179.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.508 ' NE ' ' O ' ' A' ' 31' ' ' GLY . 4.5 mtt-85 -65.91 -6.57 12.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.307 179.616 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.433 ' O ' ' CB ' ' A' ' 64' ' ' ASN . 95.8 m-20 -100.48 7.75 43.96 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.918 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.433 ' CB ' ' O ' ' A' ' 63' ' ' ASP . 3.5 m-20 79.76 -6.46 1.79 Allowed 'General case' 0 CA--C 1.522 -0.112 0 O-C-N 123.355 0.409 . . . . 0.0 110.567 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 25.2 p -76.2 125.67 29.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.375 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -70.86 129.13 38.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.707 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -122.17 112.84 18.69 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.337 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -82.63 141.87 32.17 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.482 179.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -114.28 151.02 33.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.312 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.481 ' OD1' ' CB ' ' A' ' 72' ' ' GLU . 0.3 OUTLIER -98.9 125.42 44.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.229 179.554 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 30.5 pttt -56.76 -17.86 10.58 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.171 0.51 . . . . 0.0 110.378 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.481 ' CB ' ' OD1' ' A' ' 70' ' ' ASN . 1.5 mt-10 . . . . . 0 C--N 1.324 -0.543 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 -179.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 55.1 pttt . . . . . 0 C--O 1.227 -0.098 0 CA-C-O 120.982 0.42 . . . . 0.0 110.493 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.756 ' O ' HG23 ' A' ' 83' ' ' VAL . 3.7 mm-40 -83.49 -34.91 25.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.84 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.637 HG11 ' C ' ' A' ' 15' ' ' LYS . 54.5 t -57.32 -44.15 83.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 78.8 m80 -71.01 -40.74 71.62 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.967 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.52 -27.88 63.51 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.866 0.365 . . . . 0.0 110.777 179.646 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.756 HG23 ' O ' ' A' ' 79' ' ' GLU . 77.8 t -79.05 134.81 27.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.284 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.27 143.3 35.72 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.593 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.791 HG13 ' CD1' ' A' ' 24' ' ' LEU . 16.4 t -115.05 115.48 49.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 120.867 0.365 . . . . 0.0 110.079 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.575 ' CD1' ' O ' ' A' ' 86' ' ' TYR . 0.2 OUTLIER -85.0 150.28 25.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.932 -179.675 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.533 ' O ' HG13 ' A' ' 87' ' ' VAL . 4.8 p -129.31 123.11 57.39 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.286 179.565 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 31.5 p90 . . . . . 0 C--O 1.218 -0.587 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.378 179.915 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 69.5 m . . . . . 0 N--CA 1.464 0.257 0 CA-C-O 120.734 0.302 . . . . 0.0 110.611 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.5 mp -131.47 130.75 62.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.694 179.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 64.3 m -123.02 178.67 4.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.631 -179.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.3 mtm105 -115.52 131.94 56.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.674 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.23 152.48 45.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.578 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? -95.23 -39.97 9.8 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.899 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.782 ' CD ' ' H ' ' A' ' 17' ' ' TRP . 0.1 OUTLIER -137.06 -171.09 2.86 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.886 -179.883 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.782 ' H ' ' CD ' ' A' ' 16' ' ' LYS . 48.6 t90 -96.59 133.21 41.37 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.466 -0.788 . . . . 0.0 112.1 179.701 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 21' ' ' ILE . 84.1 p -157.01 155.8 31.86 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.199 178.215 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.4 pt-20 -42.47 -27.96 0.19 Allowed 'General case' 0 C--O 1.237 0.399 0 CA-C-O 120.937 0.399 . . . . 0.0 110.254 -179.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.572 ' O ' HD23 ' A' ' 24' ' ' LEU . 88.3 tt0 -69.73 -43.76 71.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.47 179.495 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.491 ' O ' ' N ' ' A' ' 24' ' ' LEU . 15.6 mm -73.28 -61.19 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 C-N-CA 120.606 -0.438 . . . . 0.0 110.417 -178.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.545 ' OE1' ' CE1' ' A' ' 55' ' ' TYR . 85.4 tt0 -37.85 -46.24 0.92 Allowed 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 -179.108 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.433 HD22 HD22 ' A' ' 24' ' ' LEU . 2.0 t30 -62.25 -46.19 89.94 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.661 178.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.757 HD12 HE21 ' A' ' 28' ' ' GLN . 2.2 mm? -55.38 -46.33 76.52 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.823 -179.735 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -56.23 -49.71 73.35 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 121.004 -0.278 . . . . 0.0 110.624 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.558 ' NH2' ' O ' ' A' ' 70' ' ' ASN . 93.4 mtt180 -60.11 -46.58 89.14 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.203 -179.502 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -62.56 -49.18 76.29 Favored 'General case' 0 CA--C 1.528 0.124 0 CA-C-O 120.734 0.302 . . . . 0.0 110.537 179.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.757 HE21 HD12 ' A' ' 24' ' ' LEU . 74.3 mt-30 -55.96 -42.11 75.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.087 -179.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 89.8 mm-40 -63.35 -39.0 93.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.847 178.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 62' ' ' ARG . . . -73.84 -18.33 60.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.035 0.445 . . . . 0.0 110.625 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.575 ' HA3' ' HE ' ' A' ' 62' ' ' ARG . . . 103.32 5.65 45.85 Favored Glycine 0 CA--C 1.527 0.796 0 N-CA-C 111.311 -0.715 . . . . 0.0 111.311 -179.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -102.87 149.93 24.01 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 121.14 0.495 . . . . 0.0 110.501 179.192 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.428 ' CD ' ' H ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -86.34 -39.45 16.45 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.315 -179.816 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.488 ' CG ' ' N ' ' A' ' 35' ' ' GLU . 31.8 t70 -166.61 173.56 9.61 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.398 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.488 ' N ' ' CG ' ' A' ' 34' ' ' ASP . 4.5 mm-40 -42.79 -35.03 1.04 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.644 -179.235 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 88.8 mt -54.16 -49.06 64.8 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 C-N-CA 120.67 -0.412 . . . . 0.0 111.277 -177.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -68.22 -42.51 79.69 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 120.924 -0.311 . . . . 0.0 111.586 -179.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -59.22 -47.4 85.46 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.222 -179.084 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.481 ' O ' ' N ' ' A' ' 43' ' ' GLN . 58.4 mttp -61.35 -41.34 96.89 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.262 -179.188 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -63.25 -42.07 99.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.846 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.0 t -61.7 -45.97 97.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.399 -179.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.644 ' O ' HG13 ' A' ' 44' ' ' VAL . 32.7 mmtp -94.17 0.81 56.0 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.664 -179.651 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.481 ' N ' ' O ' ' A' ' 39' ' ' LYS . 77.3 mm-40 48.61 51.33 15.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.931 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.644 HG13 ' O ' ' A' ' 42' ' ' LYS . 32.7 m -129.67 -173.2 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.404 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -138.05 8.24 2.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.63 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -138.71 136.45 35.8 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.992 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 17.7 t -108.52 137.94 37.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.38 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -70.68 118.11 13.05 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.212 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.522 ' NE ' ' O ' ' A' ' 54' ' ' GLY . 33.1 mtp180 -140.62 164.5 30.0 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.544 -179.578 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.468 ' O ' ' HA2' ' A' ' 54' ' ' GLY . 80.2 m95 -92.18 143.55 27.68 Favored Pre-proline 0 C--O 1.219 -0.521 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.121 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -66.8 -34.22 31.61 Favored 'Trans proline' 0 C--N 1.303 -1.855 0 C-N-CA 122.566 2.178 . . . . 0.0 112.355 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -46.07 -48.12 17.04 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.648 -178.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.492 ' OG1' ' CD2' ' A' ' 55' ' ' TYR . 23.2 p -131.22 -34.45 1.42 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.23 179.544 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.522 ' O ' ' NE ' ' A' ' 49' ' ' ARG . . . 100.64 21.77 12.14 Favored Glycine 0 N--CA 1.463 0.483 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 -179.624 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.545 ' CE1' ' OE1' ' A' ' 22' ' ' GLU . 29.3 m-85 -79.88 158.28 26.75 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 120.635 0.255 . . . . 0.0 110.86 179.501 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.498 HG11 HD13 ' A' ' 59' ' ' LEU . 56.7 t -60.82 120.66 6.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.598 -179.102 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 45.4 tttm -74.79 -49.29 21.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.663 179.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 62.4 pttt -143.34 148.7 36.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.261 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.498 HD13 HG11 ' A' ' 56' ' ' VAL . 6.6 tp -146.87 130.82 17.18 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.796 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -81.25 133.49 35.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.601 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.445 HH11 ' HD2' ' A' ' 61' ' ' ARG . 3.6 mtm105 -75.6 168.07 20.7 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.493 -178.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.575 ' HE ' ' HA3' ' A' ' 31' ' ' GLY . 2.5 mtm180 -68.27 -6.71 25.31 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.545 179.18 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -100.42 11.2 39.98 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.65 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 14.9 m-20 69.33 36.95 2.16 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 120.638 0.256 . . . . 0.0 111.173 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 25.2 p -120.26 129.61 54.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.23 179.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -76.71 123.23 25.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.767 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -121.91 120.63 35.03 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.379 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -82.18 136.31 35.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.459 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -107.86 157.04 18.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.765 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.558 ' O ' ' NH2' ' A' ' 26' ' ' ARG . 2.4 p30 -90.81 127.58 36.4 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.537 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.25 -14.86 59.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.283 0.563 . . . . 0.0 110.49 179.614 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 . . . . . 0 C--N 1.32 -0.716 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.021 -179.457 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt . . . . . 0 C--O 1.235 0.315 0 CA-C-O 120.743 0.306 . . . . 0.0 110.658 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.529 ' O ' HG23 ' A' ' 83' ' ' VAL . 1.6 tp10 -81.12 -31.7 34.13 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-O 120.671 0.272 . . . . 0.0 110.399 -179.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 78.9 t -57.83 -45.44 87.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.895 0.378 . . . . 0.0 110.0 -179.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 74.5 m80 -70.16 -40.28 74.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.949 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.02 -27.29 64.55 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 79' ' ' GLU . 72.2 t -87.88 134.99 26.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.985 -179.482 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.553 ' O ' ' NE2' ' A' ' 28' ' ' GLN . 38.6 pttt -115.03 131.78 56.81 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.345 179.58 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 38.4 t -98.52 123.71 51.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.023 0.439 . . . . 0.0 110.329 -179.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.542 ' CD1' ' O ' ' A' ' 86' ' ' TYR . 0.2 OUTLIER -83.74 153.62 24.05 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.713 179.542 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.0 m -126.64 126.97 69.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.626 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 43.7 p90 . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 118.003 -0.999 . . . . 0.0 110.424 179.863 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.7 m . . . . . 0 N--CA 1.456 -0.143 0 CA-C-O 120.772 0.32 . . . . 0.0 110.408 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.447 HD13 ' HA ' ' A' ' 86' ' ' TYR . 40.5 mm -121.62 129.88 75.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.101 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.7 m -123.3 173.87 7.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.549 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.477 ' CZ ' ' O ' ' A' ' 81' ' ' HIS . 30.5 mmm-85 -113.45 128.78 56.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.536 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.415 ' CB ' HG13 ' A' ' 80' ' ' VAL . . . -59.29 151.81 22.43 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.674 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.508 ' C ' HG11 ' A' ' 80' ' ' VAL . 29.1 mmtp -99.45 -41.9 7.19 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.997 -179.32 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -146.35 148.34 32.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.335 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.757 ' N ' HG21 ' A' ' 80' ' ' VAL . 65.4 t90 -56.39 137.17 53.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.151 -179.228 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 60.1 p -167.36 164.72 15.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.511 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -45.35 -35.29 3.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.513 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.403 ' O ' HD23 ' A' ' 24' ' ' LEU . 52.8 tp10 -65.39 -48.18 73.76 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.576 179.385 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.489 ' N ' HD13 ' A' ' 21' ' ' ILE . 4.3 mm -67.7 -57.82 8.25 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.487 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 -178.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 21' ' ' ILE . 2.1 tm-20 -37.73 -46.3 0.88 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 123.579 0.549 . . . . 0.0 110.023 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.59 HD22 HD22 ' A' ' 24' ' ' LEU . 1.7 t30 -62.95 -47.71 82.02 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.191 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.631 HD12 HE21 ' A' ' 28' ' ' GLN . 3.1 mm? -54.74 -47.07 74.28 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.677 -178.688 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -58.98 -49.6 77.28 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.784 -0.367 . . . . 0.0 110.533 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.539 ' NH2' ' O ' ' A' ' 70' ' ' ASN . 91.3 mtt180 -59.24 -47.64 84.61 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.335 -0.546 . . . . 0.0 110.623 -179.304 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.539 ' CE1' ' OD1' ' A' ' 23' ' ' ASN . 7.0 m-85 -63.12 -48.09 79.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.949 0.404 . . . . 0.0 110.376 -179.624 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.631 HE21 HD12 ' A' ' 24' ' ' LEU . 72.1 mt-30 -55.88 -43.31 77.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.064 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 94.0 mm-40 -63.13 -39.63 95.25 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.613 178.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.78 -20.13 61.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.868 0.366 . . . . 0.0 110.461 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 107.46 2.22 35.22 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.385 -0.686 . . . . 0.0 111.385 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.554 ' CE1' HG21 ' A' ' 41' ' ' VAL . 9.1 m-85 -104.23 150.14 24.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.962 0.41 . . . . 0.0 109.993 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.93 -35.5 20.45 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.71 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.447 ' CG ' ' H ' ' A' ' 35' ' ' GLU . 37.4 t0 -174.22 -176.08 1.09 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.682 -179.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.447 ' H ' ' CG ' ' A' ' 34' ' ' ASP . 15.7 pt-20 -43.08 -42.04 3.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.859 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 46.3 mm -48.97 -63.61 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 C-N-CA 120.731 -0.388 . . . . 0.0 111.217 -178.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.534 ' O ' HG23 ' A' ' 41' ' ' VAL . 51.3 tp10 -63.79 -42.17 97.78 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.377 -179.173 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.486 ' CE2' HD11 ' A' ' 59' ' ' LEU . 1.5 t80 -58.8 -51.09 71.49 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 119.76 -0.776 . . . . 0.0 110.965 -177.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.602 ' O ' ' N ' ' A' ' 43' ' ' GLN . 97.7 mttt -61.57 -40.66 95.53 Favored 'General case' 0 C--O 1.22 -0.456 0 C-N-CA 120.679 -0.408 . . . . 0.0 111.276 -178.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -62.83 -41.7 99.43 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.368 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.554 HG21 ' CE1' ' A' ' 32' ' ' TYR . 72.8 t -60.6 -46.51 95.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 C-N-CA 120.747 -0.381 . . . . 0.0 111.452 -178.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -99.99 0.06 40.3 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.802 -179.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.602 ' N ' ' O ' ' A' ' 39' ' ' LYS . 73.8 mt-30 47.53 53.45 11.07 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.577 -179.702 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 16.8 m -117.81 -169.53 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.683 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -137.77 -34.87 0.66 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.99 -179.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 26.8 ptt? -110.84 148.41 32.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.486 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 48.0 t -113.15 135.85 51.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.333 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -72.61 117.99 14.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.22 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.507 ' HE ' ' N ' ' A' ' 56' ' ' VAL . 29.2 mtp180 -139.14 170.21 16.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.496 -179.638 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.435 ' O ' ' N ' ' A' ' 54' ' ' GLY . 65.3 m95 -97.11 141.85 23.65 Favored Pre-proline 0 C--O 1.221 -0.417 0 C-N-CA 120.125 -0.63 . . . . 0.0 111.068 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -65.48 -29.75 52.99 Favored 'Trans proline' 0 C--N 1.306 -1.691 0 C-N-CA 122.423 2.082 . . . . 0.0 112.785 -179.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 32.9 mp0 -51.99 -50.52 61.15 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.589 -178.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.442 ' OG1' ' CD2' ' A' ' 55' ' ' TYR . 45.0 p -126.47 -35.36 2.37 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.97 -0.292 . . . . 0.0 111.113 179.678 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.505 ' O ' ' CZ ' ' A' ' 49' ' ' ARG . . . 99.66 25.34 9.29 Favored Glycine 0 N--CA 1.463 0.456 0 C-N-CA 120.596 -0.811 . . . . 0.0 111.268 -179.671 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.442 ' CD2' ' OG1' ' A' ' 53' ' ' THR . 28.9 m-85 -86.51 154.8 20.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.727 0.299 . . . . 0.0 110.635 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.572 HG11 HD13 ' A' ' 59' ' ' LEU . 41.1 t -56.94 124.09 9.85 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.227 -178.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -75.18 -51.83 12.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.996 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 63.0 pttt -141.85 148.19 38.4 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.383 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.572 HD13 HG11 ' A' ' 56' ' ' VAL . 5.9 tp -147.63 134.92 20.6 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.564 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -85.47 136.13 33.56 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.429 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.429 ' HE ' ' HB2' ' A' ' 67' ' ' PHE . 22.3 mtt180 -78.55 168.35 19.91 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.215 -179.346 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.448 ' NH2' ' OE2' ' A' ' 37' ' ' GLU . 5.4 mmt180 -68.92 -7.11 31.85 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.178 179.634 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -98.27 5.65 48.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.712 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 73.79 37.42 0.67 Allowed 'General case' 0 N--CA 1.456 -0.165 0 CA-C-O 120.718 0.294 . . . . 0.0 111.137 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 33.0 p -121.44 129.81 53.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.244 179.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -74.47 124.13 26.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.432 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.429 ' HB2' ' HE ' ' A' ' 61' ' ' ARG . 41.3 t80 -122.06 117.98 27.63 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.293 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -82.0 134.58 35.37 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.442 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -106.17 153.63 21.84 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.633 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.539 ' O ' ' NH2' ' A' ' 26' ' ' ARG . 3.8 p30 -100.51 134.44 43.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.052 179.682 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.7 pttm -71.48 -31.01 66.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.126 0.488 . . . . 0.0 110.629 179.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 . . . . . 0 C--N 1.324 -0.51 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.27 179.882 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt . . . . . 0 C--O 1.236 0.393 0 CA-C-O 121.252 0.549 . . . . 0.0 110.64 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.684 ' O ' HG23 ' A' ' 83' ' ' VAL . 0.7 OUTLIER -80.45 -36.16 33.93 Favored 'General case' 0 C--O 1.216 -0.668 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.29 -179.734 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.757 HG21 ' N ' ' A' ' 17' ' ' TRP . 53.5 t -59.14 -41.65 84.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 C-N-CA 120.28 -0.568 . . . . 0.0 110.553 179.514 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.477 ' O ' ' CZ ' ' A' ' 13' ' ' ARG . 60.8 m80 -68.32 -42.59 79.14 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.186 -0.461 . . . . 0.0 112.04 -178.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.99 -20.16 39.03 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.606 -0.438 . . . . 0.0 111.066 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.684 HG23 ' O ' ' A' ' 79' ' ' GLU . 74.2 t -85.75 138.08 19.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.447 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.531 ' O ' ' NE2' ' A' ' 28' ' ' GLN . 0.9 OUTLIER -108.07 159.46 16.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.564 179.635 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 60.0 t -127.42 124.25 63.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.511 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.532 ' CD1' ' N ' ' A' ' 87' ' ' VAL . 0.0 OUTLIER -87.88 141.5 28.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 179.686 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.532 ' N ' ' CD1' ' A' ' 86' ' ' TYR . 12.6 m -128.6 134.4 64.66 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-O 121.621 0.724 . . . . 0.0 111.348 179.31 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 29.8 p90 . . . . . 0 C--N 1.323 -0.554 0 CA-C-O 117.893 -1.051 . . . . 0.0 110.146 179.601 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.447 ' O ' HG22 ' A' ' 87' ' ' VAL . 70.3 m . . . . . 0 C--O 1.23 0.034 0 CA-C-O 120.943 0.401 . . . . 0.0 110.68 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.4 mp -133.05 130.56 58.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.416 179.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.3 m -119.33 177.46 4.9 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.556 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 91.1 mtt180 -111.24 130.51 55.63 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.764 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.462 ' O ' HG12 ' A' ' 80' ' ' VAL . . . -66.86 148.12 52.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.509 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.641 ' C ' HG11 ' A' ' 80' ' ' VAL . 44.4 mmtm -95.78 -37.12 10.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.346 -179.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.9 ttpp -132.17 -177.46 4.46 Favored 'General case' 0 C--O 1.226 -0.144 0 CA-C-O 121.002 0.429 . . . . 0.0 111.022 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.412 ' HE1' ' HB2' ' A' ' 22' ' ' GLU . 61.4 t90 -96.64 134.56 39.73 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.984 -179.418 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.6 m -160.23 160.0 32.19 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.624 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -46.06 -28.48 1.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.081 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.549 ' O ' HD23 ' A' ' 24' ' ' LEU . 49.4 mp0 -68.68 -44.17 74.58 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.688 179.234 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.444 ' N ' HD13 ' A' ' 21' ' ' ILE . 5.5 mm -71.04 -58.81 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 C-N-CA 120.471 -0.492 . . . . 0.0 109.806 -179.324 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.424 ' CD ' ' N ' ' A' ' 23' ' ' ASN . 1.8 tm-20 -40.33 -45.41 2.13 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.985 -179.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.424 ' N ' ' CD ' ' A' ' 22' ' ' GLU . 1.0 OUTLIER -60.45 -49.59 76.97 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.797 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.728 HD12 HE21 ' A' ' 28' ' ' GLN . 3.5 mm? -54.59 -44.26 72.87 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.737 -178.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 73.1 t80 -59.73 -48.93 79.71 Favored 'General case' 0 C--N 1.319 -0.759 0 C-N-CA 120.794 -0.362 . . . . 0.0 111.248 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.459 ' NH2' ' O ' ' A' ' 70' ' ' ASN . 90.3 mtt180 -61.77 -48.59 79.96 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.569 -0.452 . . . . 0.0 111.418 -178.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -65.35 -46.6 79.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.065 0.46 . . . . 0.0 110.552 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.728 HE21 HD12 ' A' ' 24' ' ' LEU . 60.6 mt-30 -54.27 -42.08 69.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.971 -179.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -62.1 -36.84 82.94 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.409 178.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.36 -16.92 63.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.994 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 103.54 12.6 30.28 Favored Glycine 0 CA--C 1.527 0.804 0 N-CA-C 111.273 -0.731 . . . . 0.0 111.273 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.658 ' CE1' HG21 ' A' ' 41' ' ' VAL . 31.8 m-85 -114.31 146.51 40.4 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 121.182 0.515 . . . . 0.0 110.962 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.477 ' H ' ' CD ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -76.48 -36.17 57.99 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.186 179.664 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 52.3 p-10 -161.01 170.6 20.22 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.352 179.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -51.0 -30.08 14.2 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.531 -179.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 48.8 mm -57.91 -48.44 83.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.617 -178.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 44.8 tp10 -64.66 -40.59 95.69 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.969 0.414 . . . . 0.0 110.191 -179.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.446 ' CD1' HD11 ' A' ' 59' ' ' LEU . 32.2 t80 -60.75 -46.59 89.88 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.527 179.588 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.583 ' O ' ' N ' ' A' ' 43' ' ' GLN . 59.6 mttp -59.9 -40.69 89.61 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.043 -178.694 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -62.33 -41.5 98.61 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.975 0.417 . . . . 0.0 110.587 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.658 HG21 ' CE1' ' A' ' 32' ' ' TYR . 76.9 t -61.73 -44.28 98.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.025 -179.492 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.436 ' O ' HG13 ' A' ' 44' ' ' VAL . 27.4 mmtp -100.24 5.5 44.65 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.795 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.583 ' N ' ' O ' ' A' ' 39' ' ' LYS . 77.9 mt-30 37.93 59.74 1.3 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.636 179.583 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.436 HG13 ' O ' ' A' ' 42' ' ' LYS . 27.0 m -113.11 -166.28 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.452 -179.681 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -126.99 -28.7 2.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.805 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -151.03 163.64 38.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.49 -179.634 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.407 ' HB ' HH12 ' A' ' 49' ' ' ARG . 5.9 t -122.3 142.96 36.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 120.954 0.407 . . . . 0.0 110.244 -179.608 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -66.47 145.7 55.37 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.044 0.449 . . . . 0.0 110.686 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.407 HH12 ' HB ' ' A' ' 47' ' ' VAL . 65.1 mtt85 -140.36 153.65 46.46 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.318 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.618 ' CZ2' ' NZ ' ' A' ' 57' ' ' LYS . 75.7 m95 -78.28 145.6 68.89 Favored Pre-proline 0 C--O 1.222 -0.36 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -179.677 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.496 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 38.3 Cg_endo -68.99 164.05 35.28 Favored 'Trans proline' 0 C--N 1.306 -1.663 0 C-N-CA 122.074 1.849 . . . . 0.0 110.178 175.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.496 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 9.1 tp10 82.68 -48.11 0.17 Allowed 'General case' 0 CA--C 1.512 -0.506 0 O-C-N 123.041 0.213 . . . . 0.0 110.845 179.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.518 ' HB ' ' CE2' ' A' ' 55' ' ' TYR . 69.9 p -118.86 -37.86 3.18 Favored 'General case' 0 CA--C 1.519 -0.226 0 C-N-CA 119.771 -0.771 . . . . 0.0 111.63 -178.714 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 50' ' ' TRP . . . 85.07 20.51 57.38 Favored Glycine 0 CA--C 1.525 0.687 0 C-N-CA 120.546 -0.835 . . . . 0.0 111.126 -179.68 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.518 ' CE2' ' HB ' ' A' ' 53' ' ' THR . 24.6 m-85 -71.1 163.1 28.28 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.866 -0.333 . . . . 0.0 110.666 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 96.1 t -58.68 128.29 19.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.821 -178.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.618 ' NZ ' ' CZ2' ' A' ' 50' ' ' TRP . 8.3 tptp -73.0 -50.77 21.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.817 -179.659 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -155.81 153.93 30.57 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.48 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.558 HD13 ' N ' ' A' ' 60' ' ' GLN . 0.1 OUTLIER -145.03 131.17 19.4 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.503 -0.479 . . . . 0.0 110.88 179.647 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.558 ' N ' HD13 ' A' ' 59' ' ' LEU . 10.6 tt0 -80.02 130.24 35.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.138 0.494 . . . . 0.0 110.82 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.2 mtm180 -75.73 168.02 20.8 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.639 -178.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 15.9 mtt-85 -65.64 -11.43 44.65 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.114 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -94.47 12.49 27.07 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.637 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 56.4 m-20 65.53 37.07 6.22 Favored 'General case' 0 C--N 1.333 -0.134 0 O-C-N 123.326 0.391 . . . . 0.0 111.279 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 29.4 p -118.66 129.33 55.24 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.466 179.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -76.08 120.1 20.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.577 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -115.28 115.47 26.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.125 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -82.51 141.96 32.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.342 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 66.9 m-85 -114.39 148.55 37.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.723 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.736 HD21 ' CB ' ' A' ' 72' ' ' GLU . 1.2 t30 -91.46 145.78 24.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.446 ' HB3' ' CG ' ' A' ' 50' ' ' TRP . 7.8 pttt -81.71 -21.25 38.11 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.673 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.736 ' CB ' HD21 ' A' ' 70' ' ' ASN . 1.0 OUTLIER . . . . . 0 CA--C 1.499 -0.99 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.837 -178.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 41.9 mtpt . . . . . 0 C--O 1.236 0.376 0 CA-C-O 121.129 0.49 . . . . 0.0 110.456 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.664 ' O ' HG23 ' A' ' 83' ' ' VAL . 5.2 mt-10 -83.15 -28.19 29.55 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.785 179.481 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.641 HG11 ' C ' ' A' ' 15' ' ' LYS . 56.1 t -57.73 -48.32 83.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 179.517 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 32.4 m170 -68.63 -40.65 80.24 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.701 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.6 mmmt -72.3 -26.65 62.04 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.934 0.397 . . . . 0.0 110.888 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 79' ' ' GLU . 69.8 t -87.08 142.09 13.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.809 -179.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.518 ' O ' ' NE2' ' A' ' 28' ' ' GLN . 56.5 mtmt -113.84 158.12 21.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.49 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 61.7 t -127.11 126.95 69.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.67 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.534 ' CD1' ' O ' ' A' ' 86' ' ' TYR . 0.5 OUTLIER -81.33 144.66 31.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.42 179.731 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.447 HG22 ' O ' ' A' ' 10' ' ' SER . 6.3 m -126.19 138.02 55.91 Favored 'Isoleucine or valine' 0 C--O 1.231 0.132 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.582 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 35.3 p90 . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 118.041 -0.981 . . . . 0.0 110.521 -179.869 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 64.4 m . . . . . 0 N--CA 1.455 -0.18 0 CA-C-O 120.868 0.366 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.7 mp -129.81 134.42 63.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.572 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 39.0 t -126.22 176.57 6.98 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.55 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -113.81 130.64 56.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.527 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.568 ' HB3' HG13 ' A' ' 80' ' ' VAL . . . -65.45 154.21 39.14 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.061 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.73 -37.9 17.46 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.911 -179.729 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.711 ' CD ' ' H ' ' A' ' 17' ' ' TRP . 22.3 tptm -167.27 173.39 8.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.161 0.505 . . . . 0.0 111.122 179.573 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.711 ' H ' ' CD ' ' A' ' 16' ' ' LYS . 18.3 t90 -53.35 133.94 40.01 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.208 -0.906 . . . . 0.0 110.142 -178.71 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -163.23 162.99 25.61 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.123 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -56.81 -39.74 74.73 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.082 -178.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -66.77 -46.35 75.58 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.422 -0.511 . . . . 0.0 110.925 179.115 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.511 ' N ' HD13 ' A' ' 21' ' ' ILE . 4.4 mm -70.2 -57.71 7.35 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.346 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 -178.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.557 ' OE2' ' NE ' ' A' ' 26' ' ' ARG . 6.3 tm-20 -39.8 -49.91 2.37 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.995 0.426 . . . . 0.0 110.373 179.584 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -60.67 -47.37 86.56 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.531 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.795 ' CD1' HG13 ' A' ' 85' ' ' VAL . 71.8 mt -58.39 -40.1 81.46 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.14 -179.065 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 23.7 t80 -59.59 -49.64 76.98 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.389 178.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.557 ' NE ' ' OE2' ' A' ' 22' ' ' GLU . 92.8 mtt180 -61.24 -46.19 91.42 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.431 -179.144 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -62.71 -49.33 75.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.871 0.367 . . . . 0.0 110.831 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.514 ' NE2' ' O ' ' A' ' 84' ' ' LYS . 69.2 mt-30 -57.39 -41.66 80.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.147 -178.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 89.6 mm-40 -62.7 -40.25 96.56 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.448 178.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 62' ' ' ARG . . . -72.68 -20.52 61.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.81 0.338 . . . . 0.0 110.601 179.521 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 107.27 1.91 35.61 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.481 ' CE2' ' O ' ' A' ' 60' ' ' GLN . 16.5 m-85 -100.19 150.23 22.73 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.07 0.462 . . . . 0.0 110.155 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.28 -35.47 18.45 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.383 -179.466 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.429 ' OD1' ' OH ' ' A' ' 86' ' ' TYR . 2.3 p-10 -170.98 -178.71 2.56 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.684 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -48.85 -35.76 15.37 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.175 -178.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 77.8 mt -55.33 -49.04 75.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.948 -178.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -67.61 -41.73 83.53 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.876 -0.33 . . . . 0.0 110.992 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -59.5 -46.92 87.43 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.03 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.532 ' O ' ' N ' ' A' ' 43' ' ' GLN . 97.8 mttt -60.33 -41.78 94.27 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 120.643 -0.423 . . . . 0.0 111.382 -179.496 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -63.69 -42.75 97.97 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.957 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.48 HG21 ' CE1' ' A' ' 32' ' ' TYR . 72.5 t -61.74 -45.83 97.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.859 0.362 . . . . 0.0 111.283 -179.393 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.498 ' O ' HG13 ' A' ' 44' ' ' VAL . 68.7 mmtt -94.65 -0.33 54.49 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.609 -179.632 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.532 ' N ' ' O ' ' A' ' 39' ' ' LYS . 74.1 mm-40 50.52 51.49 16.76 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.526 -0.469 . . . . 0.0 110.838 179.604 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.498 HG13 ' O ' ' A' ' 42' ' ' LYS . 34.7 m -128.55 -177.1 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.312 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -135.62 20.39 3.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 -179.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.7 mtm -158.28 142.75 16.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.494 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.1 t -115.01 134.36 58.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -68.88 135.49 51.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.745 0.307 . . . . 0.0 110.658 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.692 HH12 HG22 ' A' ' 56' ' ' VAL . 85.6 mtt-85 -145.37 169.13 18.9 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.731 -0.387 . . . . 0.0 110.232 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.507 ' O ' ' N ' ' A' ' 54' ' ' GLY . 68.0 m95 -95.89 139.47 21.85 Favored Pre-proline 0 C--O 1.221 -0.422 0 C-N-CA 120.194 -0.603 . . . . 0.0 111.068 179.71 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -64.95 -31.48 56.17 Favored 'Trans proline' 0 N--CA 1.497 1.717 0 C-N-CA 121.925 1.75 . . . . 0.0 113.084 -179.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -58.51 -51.04 71.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.034 -177.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 66.8 p -118.26 -30.67 5.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.614 -178.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 50' ' ' TRP . . . 87.64 20.5 50.94 Favored Glycine 0 C--O 1.224 -0.5 0 C-N-CA 119.921 -1.133 . . . . 0.0 111.097 -179.081 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.5 ' OH ' ' CH2' ' A' ' 17' ' ' TRP . 29.4 m-85 -82.47 164.01 21.21 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.159 -0.616 . . . . 0.0 110.774 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.692 HG22 HH12 ' A' ' 49' ' ' ARG . 64.8 t -58.85 125.6 15.13 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.464 -179.255 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.3 tptm -76.17 -53.55 8.12 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.719 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -143.56 145.47 32.56 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.391 -179.028 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.468 HD13 HG11 ' A' ' 56' ' ' VAL . 4.6 tp -146.17 128.41 15.75 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.083 179.732 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.481 ' O ' ' CE2' ' A' ' 32' ' ' TYR . 32.7 tt0 -81.46 135.16 35.62 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.907 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.5 mtm180 -77.09 164.81 25.35 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.785 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.495 ' N ' ' O ' ' A' ' 30' ' ' ALA . 14.0 mtt180 -64.25 -6.48 6.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.995 179.508 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -98.68 8.3 45.1 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.119 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 75.99 -4.12 2.43 Favored 'General case' 0 CA--C 1.522 -0.134 0 CA-C-O 120.846 0.355 . . . . 0.0 110.638 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 24.1 p -78.21 129.59 35.29 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.01 179.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -74.86 127.33 32.94 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.138 -179.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -122.64 112.27 17.77 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.164 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -83.35 136.71 34.25 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.197 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -105.63 151.89 23.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.542 179.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -103.23 124.21 48.2 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.374 179.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.8 pttm -49.04 -37.35 20.58 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.186 -0.605 . . . . 0.0 110.308 179.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 . . . . . 0 C--N 1.329 -0.325 0 C-N-CA 120.626 -0.429 . . . . 0.0 109.94 178.809 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt . . . . . 0 N--CA 1.455 -0.215 0 CA-C-O 120.88 0.372 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.775 ' O ' HG23 ' A' ' 83' ' ' VAL . 98.4 mt-10 -81.38 -33.24 32.45 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.521 -0.472 . . . . 0.0 110.617 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.614 HG21 ' N ' ' A' ' 17' ' ' TRP . 50.2 t -58.5 -47.9 86.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 C-N-CA 120.283 -0.567 . . . . 0.0 109.789 179.607 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 48.2 t-80 -60.83 -44.87 96.36 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.502 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 36.7 mtmt -72.89 -26.96 61.62 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.956 179.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.775 HG23 ' O ' ' A' ' 79' ' ' GLU . 54.0 t -76.69 134.64 28.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.286 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.514 ' O ' ' NE2' ' A' ' 28' ' ' GLN . 53.9 pttt -104.41 141.65 35.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.084 179.354 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.795 HG13 ' CD1' ' A' ' 24' ' ' LEU . 19.0 t -106.39 119.07 55.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 -179.42 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.539 ' CD1' ' O ' ' A' ' 86' ' ' TYR . 0.7 OUTLIER -89.35 140.85 29.09 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.707 -179.554 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 5.8 m -127.88 131.7 69.46 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.132 0 CA-C-O 121.17 0.51 . . . . 0.0 110.667 179.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 14.7 p90 . . . . . 0 C--O 1.219 -0.541 0 CA-C-O 118.047 -0.978 . . . . 0.0 110.62 179.978 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 121.16 0.505 . . . . 0.0 111.016 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.8 mp -135.27 130.93 51.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.692 179.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.3 m -122.44 177.13 5.53 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.446 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.28 134.29 55.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.056 -179.596 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -48.35 154.54 0.6 Allowed 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.023 -179.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.14 -44.87 4.66 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 120.644 -0.422 . . . . 0.0 111.385 -179.352 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.6 tptt -141.78 -177.28 5.12 Favored 'General case' 0 C--O 1.22 -0.468 0 C-N-CA 120.436 -0.505 . . . . 0.0 110.541 -179.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.426 ' HE1' ' HB2' ' A' ' 22' ' ' GLU . 15.7 t90 -90.59 119.62 31.0 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 120.336 -0.545 . . . . 0.0 111.47 -178.787 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 42.3 t -157.94 156.86 32.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.829 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -45.93 -27.51 0.91 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.099 -179.672 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -66.59 -50.08 64.22 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.201 0.524 . . . . 0.0 110.134 179.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.408 ' O ' ' C ' ' A' ' 22' ' ' GLU . 19.4 mm -71.51 -58.5 5.03 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.499 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.074 -179.578 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.426 ' HB2' ' HE1' ' A' ' 17' ' ' TRP . 6.3 tp10 -43.17 -48.47 6.44 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.381 -0.528 . . . . 0.0 109.621 -178.642 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.402 ' ND2' ' C ' ' A' ' 23' ' ' ASN . 1.1 t30 -61.23 -48.3 82.12 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.771 179.337 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.704 HD13 HG13 ' A' ' 85' ' ' VAL . 31.6 mt -57.06 -36.01 70.02 Favored 'General case' 0 C--O 1.221 -0.426 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 -178.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -59.52 -47.49 85.31 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.579 -0.448 . . . . 0.0 109.898 178.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.511 ' NH2' ' O ' ' A' ' 70' ' ' ASN . 86.2 mtt180 -61.09 -49.83 75.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.471 -179.716 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.454 ' CE2' HG21 ' A' ' 56' ' ' VAL . 22.0 m-85 -63.29 -48.48 77.96 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 120.893 0.378 . . . . 0.0 110.672 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.589 ' NE2' ' O ' ' A' ' 84' ' ' LYS . 73.3 mt-30 -57.37 -41.24 79.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.319 -179.678 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 50.7 mm-40 -58.75 -39.53 81.24 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.568 -0.453 . . . . 0.0 109.992 178.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.88 -14.95 62.58 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.073 179.318 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 103.52 1.53 46.91 Favored Glycine 0 CA--C 1.528 0.892 0 N-CA-C 111.402 -0.679 . . . . 0.0 111.402 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.49 ' N ' ' CD1' ' A' ' 32' ' ' TYR . 12.5 m-85 -99.02 145.88 26.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.962 0.41 . . . . 0.0 110.204 -179.145 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.682 ' N ' ' HE ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -79.47 -37.97 35.6 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.496 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -161.75 170.88 18.81 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.657 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -50.39 -25.78 4.26 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.153 -179.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 95.3 mt -59.87 -48.85 86.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.914 -179.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -64.54 -40.71 96.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.91 0.385 . . . . 0.0 110.471 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.506 ' CD1' HD11 ' A' ' 59' ' ' LEU . 55.1 t80 -60.13 -46.92 88.0 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.427 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.559 ' O ' ' N ' ' A' ' 43' ' ' GLN . 97.8 mttt -61.48 -39.0 89.32 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.554 -0.293 . . . . 0.0 111.471 -179.47 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -61.38 -46.03 91.86 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.86 0.362 . . . . 0.0 110.804 -179.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.0 t -62.37 -41.21 90.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.041 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.519 ' O ' HG13 ' A' ' 44' ' ' VAL . 72.2 mmtt -91.72 -7.0 50.98 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.606 -179.579 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.559 ' N ' ' O ' ' A' ' 39' ' ' LYS . 77.1 mm-40 51.74 50.23 19.14 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.631 -0.428 . . . . 0.0 111.041 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.519 HG13 ' O ' ' A' ' 42' ' ' LYS . 30.3 m -129.5 -173.49 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.364 179.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -138.85 32.38 2.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.859 -179.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 16.4 ptm -162.19 149.92 14.3 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.762 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 10.8 t -128.97 136.66 59.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -64.43 128.93 37.91 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.867 0.365 . . . . 0.0 110.55 -179.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -143.68 166.54 24.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.645 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 81.1 m95 -99.9 142.34 24.43 Favored Pre-proline 0 CA--C 1.534 0.359 0 C-N-CA 120.279 -0.568 . . . . 0.0 110.874 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -65.82 -36.34 32.07 Favored 'Trans proline' 0 N--CA 1.497 1.697 0 C-N-CA 122.274 1.983 . . . . 0.0 112.897 -179.23 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -41.34 -48.3 3.65 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.606 -178.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.5 ' OG1' ' CD2' ' A' ' 55' ' ' TYR . 13.0 p -135.31 -36.64 0.8 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.4 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 102.15 34.74 4.15 Favored Glycine 0 CA--C 1.524 0.613 0 C-N-CA 120.885 -0.674 . . . . 0.0 111.88 -179.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.5 ' CD2' ' OG1' ' A' ' 53' ' ' THR . 54.7 m-85 -91.72 165.63 13.19 Favored 'General case' 0 C--O 1.237 0.426 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 178.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.454 HG21 ' CE2' ' A' ' 27' ' ' PHE . 59.6 t -63.07 119.78 7.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.07 -178.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 75.5 tttt -74.03 -49.64 23.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.121 179.13 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 61.0 pttt -150.07 154.08 37.52 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.608 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.616 HD13 ' H ' ' A' ' 60' ' ' GLN . 0.1 OUTLIER -151.26 135.21 16.57 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-O 121.154 0.502 . . . . 0.0 110.622 -179.795 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.616 ' H ' HD13 ' A' ' 59' ' ' LEU . 40.9 tt0 -77.67 136.3 38.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.718 -0.673 . . . . 0.0 109.545 179.597 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 54.1 mtm180 -81.36 172.36 13.66 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.13 0.49 . . . . 0.0 111.184 -179.202 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 9.5 mmt-85 -70.25 -11.1 60.67 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.113 -0.948 . . . . 0.0 110.128 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.428 ' O ' ' CB ' ' A' ' 64' ' ' ASN . 96.7 m-20 -96.81 4.67 51.6 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.95 -179.755 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.428 ' CB ' ' O ' ' A' ' 63' ' ' ASP . 2.2 m-20 80.63 0.65 1.87 Allowed 'General case' 0 C--N 1.341 0.234 0 CA-C-O 120.776 0.322 . . . . 0.0 110.668 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 11.6 p -86.66 132.51 33.86 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.176 179.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -80.19 133.01 35.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.525 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -128.83 119.64 24.85 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.826 0.346 . . . . 0.0 110.17 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -82.41 136.26 34.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.605 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -106.43 163.81 12.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.825 179.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.591 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 0.0 OUTLIER -96.83 133.12 41.84 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.825 -179.804 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 22.7 pttt -71.75 -21.41 61.75 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.408 0.623 . . . . 0.0 110.542 179.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.323 -0.549 0 C-N-CA 120.373 -0.531 . . . . 0.0 109.924 -179.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.238 0.499 0 CA-C-O 121.129 0.49 . . . . 0.0 110.397 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.72 ' O ' HG23 ' A' ' 83' ' ' VAL . 1.5 tp10 -81.14 -38.02 27.86 Favored 'General case' 0 C--O 1.222 -0.374 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 66.5 t -58.01 -39.3 71.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 C-N-CA 120.347 -0.541 . . . . 0.0 110.472 179.473 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 64.2 m170 -70.99 -43.01 68.89 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -178.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.77 -20.95 34.88 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 120.726 -0.39 . . . . 0.0 111.18 -179.033 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.72 HG23 ' O ' ' A' ' 79' ' ' GLU . 44.1 t -74.47 130.8 35.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.37 0.605 . . . . 0.0 111.465 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.589 ' O ' ' NE2' ' A' ' 28' ' ' GLN . 21.3 pttm -114.87 128.5 56.33 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.032 179.307 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.704 HG13 HD13 ' A' ' 24' ' ' LEU . 20.6 t -108.31 130.83 60.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.929 0.395 . . . . 0.0 110.958 -178.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.439 ' CD1' ' O ' ' A' ' 86' ' ' TYR . 0.3 OUTLIER -83.34 157.99 22.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.009 -179.831 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.419 ' O ' HG13 ' A' ' 87' ' ' VAL . 4.0 p -127.04 131.23 71.07 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 CA-C-O 121.072 0.463 . . . . 0.0 110.173 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 9.3 p90 . . . . . 0 C--O 1.219 -0.514 0 CA-C-O 117.87 -1.062 . . . . 0.0 110.364 -179.842 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 45.3 m . . . . . 0 N--CA 1.456 -0.142 0 CA-C-O 120.944 0.402 . . . . 0.0 110.687 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.5 mp -133.54 134.81 56.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.643 179.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 41.2 t -122.74 176.22 6.08 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.397 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? -113.21 129.74 56.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.507 -179.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.463 ' HB2' HD12 ' A' ' 21' ' ' ILE . . . -65.45 150.63 48.03 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.811 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -115.36 13.6 16.61 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 179.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.711 ' CD ' ' H ' ' A' ' 17' ' ' TRP . 55.6 tptt -172.43 172.71 4.31 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.039 177.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.711 ' H ' ' CD ' ' A' ' 16' ' ' LYS . 59.5 t90 -97.33 123.88 41.28 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.41 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.41 ' O ' ' N ' ' A' ' 21' ' ' ILE . 93.7 p -152.68 155.46 37.31 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.067 179.099 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -44.96 -25.32 0.3 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.225 -179.243 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -69.64 -42.38 74.36 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 179.083 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.463 HD12 ' HB2' ' A' ' 14' ' ' ALA . 19.0 mm -73.03 -58.84 4.13 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.468 0 C-N-CA 120.678 -0.409 . . . . 0.0 110.01 -179.342 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.417 ' HB2' ' HE1' ' A' ' 17' ' ' TRP . 35.0 tp10 -47.23 -48.3 24.34 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.219 -0.592 . . . . 0.0 110.539 -178.268 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -56.67 -47.71 79.23 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.6 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.621 ' CD1' HG13 ' A' ' 85' ' ' VAL . 73.5 mt -59.92 -40.16 87.9 Favored 'General case' 0 CA--C 1.511 -0.548 0 C-N-CA 120.309 -0.557 . . . . 0.0 110.152 -179.749 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -60.76 -49.0 79.25 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.171 -0.611 . . . . 0.0 110.169 178.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -61.43 -45.72 93.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.231 -179.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -63.69 -49.13 74.34 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.98 0.419 . . . . 0.0 110.484 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -58.62 -39.79 81.49 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.1 -179.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -60.55 -42.77 97.26 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.645 -0.422 . . . . 0.0 109.909 178.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.527 ' HB1' ' HA ' ' A' ' 61' ' ' ARG . . . -73.2 -16.24 61.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.351 179.44 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 100.47 3.31 55.38 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 111.515 -0.634 . . . . 0.0 111.515 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.533 ' CE2' ' O ' ' A' ' 60' ' ' GLN . 11.2 m-30 -94.02 146.42 23.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.459 0.647 . . . . 0.0 110.109 -179.609 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.635 ' NE ' ' N ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -79.91 -42.07 24.84 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.437 -178.642 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.508 ' CG ' ' H ' ' A' ' 35' ' ' GLU . 18.7 t70 -170.45 179.8 3.24 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.698 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.508 ' H ' ' CG ' ' A' ' 34' ' ' ASP . 99.1 mt-10 -46.3 -27.83 1.14 Allowed 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.502 -179.259 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 90.2 mt -58.63 -48.65 85.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.992 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.55 ' O ' HG23 ' A' ' 41' ' ' VAL . 50.2 tp10 -67.56 -42.84 81.95 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.323 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -59.08 -46.84 87.26 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.415 -0.514 . . . . 0.0 111.122 -178.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.571 ' HZ1' HG23 ' A' ' 47' ' ' VAL . 60.8 mttp -61.38 -39.63 91.36 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.859 0.362 . . . . 0.0 110.853 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -62.55 -42.58 99.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.601 179.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 37' ' ' GLU . 67.1 t -64.08 -43.68 97.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 120.81 0.338 . . . . 0.0 110.628 -179.328 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.467 ' N ' ' CD ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -91.11 -4.34 56.31 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.539 -179.58 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.53 ' N ' ' O ' ' A' ' 39' ' ' LYS . 14.5 mm100 52.41 48.12 23.28 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.613 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 23.5 m -123.5 -172.23 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.417 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -133.91 20.56 3.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.817 -179.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.437 ' SD ' ' C ' ' A' ' 46' ' ' MET . 4.1 ppp? -158.62 152.79 23.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.726 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.571 HG23 ' HZ1' ' A' ' 39' ' ' LYS . 19.4 t -111.07 136.9 45.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.204 -179.685 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -75.52 124.03 26.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.502 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.547 ' NE ' ' O ' ' A' ' 54' ' ' GLY . 29.4 mtp180 -143.56 169.92 16.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.733 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.429 ' O ' ' N ' ' A' ' 54' ' ' GLY . 89.0 m95 -96.32 143.21 25.72 Favored Pre-proline 0 C--O 1.219 -0.506 0 C-N-CA 120.363 -0.535 . . . . 0.0 111.23 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -66.41 -27.76 46.9 Favored 'Trans proline' 0 N--CA 1.497 1.697 0 C-N-CA 122.09 1.86 . . . . 0.0 112.579 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -53.63 -53.59 49.73 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.936 -178.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.52 ' OG1' ' CD2' ' A' ' 55' ' ' TYR . 76.3 p -124.96 -27.6 3.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.287 -179.717 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.547 ' O ' ' NE ' ' A' ' 49' ' ' ARG . . . 93.87 19.21 34.8 Favored Glycine 0 CA--C 1.521 0.442 0 C-N-CA 120.174 -1.013 . . . . 0.0 111.317 -179.41 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.52 ' CD2' ' OG1' ' A' ' 53' ' ' THR . 27.4 m-85 -82.56 153.59 25.44 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.503 -0.479 . . . . 0.0 110.942 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.933 HG11 HD13 ' A' ' 59' ' ' LEU . 32.7 t -57.26 125.62 13.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.984 -178.677 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.421 ' CD ' ' CZ2' ' A' ' 50' ' ' TRP . 25.8 ttpp -75.32 -48.62 22.26 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.074 179.707 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -144.81 146.72 32.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.197 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.933 HD13 HG11 ' A' ' 56' ' ' VAL . 4.6 tp -144.66 133.13 21.97 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.183 179.722 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.533 ' O ' ' CE2' ' A' ' 32' ' ' TYR . 21.9 tt0 -84.76 132.66 34.41 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.124 0.487 . . . . 0.0 111.146 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.527 ' HA ' ' HB1' ' A' ' 30' ' ' ALA . 14.3 mtm180 -76.92 170.44 16.49 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.791 -179.468 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 17.9 ttt180 -67.87 -7.65 29.86 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.943 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -99.25 8.75 44.49 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.179 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 76.6 -4.77 2.3 Favored 'General case' 0 CA--C 1.521 -0.151 0 CA-C-O 120.907 0.384 . . . . 0.0 110.586 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 19.0 p -78.52 128.92 34.23 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.414 179.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -75.09 126.93 32.05 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.301 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -119.44 115.58 24.37 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.219 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 -82.52 137.48 34.59 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.431 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -108.86 152.87 24.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.751 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -97.49 134.75 40.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.866 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.9 pttp -76.22 -28.65 57.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.163 0.506 . . . . 0.0 110.27 179.452 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 . . . . . 0 C--N 1.321 -0.668 0 C-N-CA 120.192 -0.603 . . . . 0.0 110.242 179.316 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt . . . . . 0 C--O 1.234 0.252 0 CA-C-O 121.002 0.43 . . . . 0.0 110.755 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.499 ' O ' HG23 ' A' ' 83' ' ' VAL . 76.7 mm-40 -81.1 -32.31 33.92 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.52 179.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.557 HG11 ' N ' ' A' ' 16' ' ' LYS . 53.6 t -56.84 -45.09 83.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 -179.66 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -69.67 -40.85 76.18 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.149 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.77 -28.8 64.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.787 0.327 . . . . 0.0 110.97 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 79' ' ' GLU . 90.1 t -89.02 137.22 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 26.3 mttm -110.32 161.33 15.73 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.28 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.621 HG13 ' CD1' ' A' ' 24' ' ' LEU . 2.6 t -118.48 125.17 74.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-O 120.845 0.355 . . . . 0.0 110.173 -179.727 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.599 ' CD1' ' O ' ' A' ' 86' ' ' TYR . 0.2 OUTLIER -90.03 144.02 26.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.818 -179.524 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.2 m -130.14 121.03 50.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.147 0.499 . . . . 0.0 110.8 179.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 44.0 p90 . . . . . 0 C--O 1.219 -0.525 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.338 179.871 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 49.6 m . . . . . 0 CA--C 1.527 0.084 0 CA-C-O 121.062 0.458 . . . . 0.0 110.679 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.1 mp -130.87 128.69 63.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.333 179.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.7 m -123.34 178.42 5.15 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.364 -179.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.48 135.47 53.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.838 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.569 ' HB2' HD12 ' A' ' 21' ' ' ILE . . . -66.28 152.87 44.02 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.728 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.2 ttpm? -95.19 -40.64 9.48 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 120.784 0.326 . . . . 0.0 111.0 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -147.29 150.36 34.64 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.616 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.464 ' N ' HG21 ' A' ' 80' ' ' VAL . 53.4 t90 -53.28 135.69 38.13 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.53 -179.629 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 m -163.33 161.49 24.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.538 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -46.7 -35.36 5.98 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.403 -179.612 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -66.65 -43.76 83.74 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.354 179.299 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.569 HD12 ' HB2' ' A' ' 14' ' ' ALA . 4.6 mm -71.02 -59.18 3.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 -179.411 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.411 ' CD ' ' N ' ' A' ' 23' ' ' ASN . 3.5 tm-20 -40.33 -51.49 2.77 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 123.418 0.449 . . . . 0.0 110.609 -179.056 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.411 ' N ' ' CD ' ' A' ' 22' ' ' GLU . 1.7 t30 -60.22 -49.25 78.36 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.335 -179.581 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.813 ' CD1' HG13 ' A' ' 85' ' ' VAL . 76.9 mt -58.2 -41.45 84.03 Favored 'General case' 0 CA--C 1.512 -0.493 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.295 -179.336 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -58.83 -49.61 77.07 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.222 178.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.535 ' NH1' ' O ' ' A' ' 56' ' ' VAL . 94.6 mtt180 -61.3 -46.11 91.66 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-O 121.421 0.629 . . . . 0.0 109.869 -179.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.428 ' CE2' ' C ' ' A' ' 34' ' ' ASP . 7.8 m-85 -63.35 -50.26 70.65 Favored 'General case' 0 C--N 1.321 -0.655 0 O-C-N 121.63 -0.669 . . . . 0.0 110.883 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -57.67 -47.28 82.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.829 -179.44 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.479 ' HG3' ' O ' ' A' ' 26' ' ' ARG . 1.9 pp0? -62.48 -23.61 67.02 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.112 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.36 -16.87 31.85 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.988 -179.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 101.46 0.92 53.47 Favored Glycine 0 CA--C 1.528 0.897 0 N-CA-C 111.445 -0.662 . . . . 0.0 111.445 -179.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.525 ' CE1' ' O ' ' A' ' 60' ' ' GLN . 2.8 m-85 -97.56 148.54 23.16 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 -178.762 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.542 ' NH1' HH12 ' A' ' 62' ' ' ARG . 0.0 OUTLIER -83.13 -40.56 19.61 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.737 -179.8 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.576 ' OD2' HD12 ' A' ' 36' ' ' ILE . 10.1 p-10 -169.97 179.31 3.64 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.384 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.487 ' HB3' ' HZ3' ' A' ' 39' ' ' LYS . 96.0 mt-10 -45.75 -31.35 1.97 Allowed 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.785 -179.081 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.576 HD12 ' OD2' ' A' ' 34' ' ' ASP . 86.7 mt -56.54 -48.13 80.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 C-N-CA 120.672 -0.411 . . . . 0.0 111.315 -179.176 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -68.35 -41.4 80.74 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.884 -0.327 . . . . 0.0 111.145 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.591 ' CD2' HD21 ' A' ' 59' ' ' LEU . 1.9 t80 -57.27 -50.14 73.86 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 119.979 -0.688 . . . . 0.0 111.003 -178.132 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.556 ' O ' ' N ' ' A' ' 43' ' ' GLN . 63.4 mttp -62.94 -40.89 99.04 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.527 -179.084 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -61.34 -45.32 94.89 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.394 -179.229 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.437 HG21 ' CE2' ' A' ' 32' ' ' TYR . 49.0 t -59.56 -44.0 92.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.577 -179.439 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.431 ' O ' HG13 ' A' ' 44' ' ' VAL . 19.5 mmtp -97.66 1.08 48.26 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.127 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.556 ' N ' ' O ' ' A' ' 39' ' ' LYS . 26.1 mt-30 47.57 50.55 14.9 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.959 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.431 HG13 ' O ' ' A' ' 42' ' ' LYS . 18.7 m -119.2 -170.32 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.366 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -146.51 31.27 0.99 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.714 -179.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 21.9 ptt? -162.05 145.04 11.75 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.692 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.509 HG13 ' HE2' ' A' ' 38' ' ' TYR . 39.5 t -118.79 131.02 72.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.236 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -71.84 127.39 32.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.457 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.467 ' CZ ' ' O ' ' A' ' 54' ' ' GLY . 33.1 mtp180 -142.72 167.05 23.01 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.411 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.524 ' O ' ' N ' ' A' ' 54' ' ' GLY . 77.0 m95 -97.79 138.5 21.03 Favored Pre-proline 0 C--O 1.217 -0.651 0 C-N-CA 120.119 -0.632 . . . . 0.0 110.801 -179.582 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -64.65 -27.58 60.82 Favored 'Trans proline' 0 C--N 1.303 -1.833 0 C-N-CA 122.439 2.093 . . . . 0.0 112.579 -179.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -55.07 -51.85 65.06 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.737 -178.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.445 ' HG1' ' HD2' ' A' ' 55' ' ' TYR . 20.1 p -122.72 -28.72 4.12 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.012 179.478 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 50' ' ' TRP . . . 89.5 22.18 38.08 Favored Glycine 0 N--CA 1.463 0.441 0 C-N-CA 120.605 -0.807 . . . . 0.0 111.516 -179.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.445 ' HD2' ' HG1' ' A' ' 53' ' ' THR . 30.2 m-85 -82.59 157.87 23.28 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.936 -0.305 . . . . 0.0 110.774 179.649 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.535 ' O ' ' NH1' ' A' ' 26' ' ' ARG . 57.4 t -56.23 125.34 11.6 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.132 -179.291 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 33.0 tttm -73.63 -46.93 43.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.128 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 61.5 pttt -154.34 153.53 31.81 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.027 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.64 HD13 ' N ' ' A' ' 60' ' ' GLN . 0.2 OUTLIER -148.14 130.95 16.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.932 179.617 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.64 ' N ' HD13 ' A' ' 59' ' ' LEU . 30.6 tt0 -78.28 133.81 37.61 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.048 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 21.8 mtm180 -76.9 166.83 22.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.064 -179.424 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.542 HH12 ' NH1' ' A' ' 33' ' ' ARG . 11.8 ttt180 -67.0 -7.46 22.66 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.368 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -98.78 7.79 45.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.925 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 72.36 36.33 1.06 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.597 0.237 . . . . 0.0 111.227 179.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 32.2 p -120.49 130.7 54.39 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.071 179.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -79.42 123.05 27.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.554 -179.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -119.19 123.25 43.88 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.341 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -88.98 132.91 34.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.434 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.452 ' OH ' ' NE2' ' A' ' 29' ' ' GLN . 73.9 m-85 -103.15 157.73 16.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.843 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.458 HD21 ' HB2' ' A' ' 72' ' ' GLU . 5.5 t30 -99.06 118.93 36.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.997 179.422 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.1 pttm -55.19 -32.02 61.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.996 0.427 . . . . 0.0 110.625 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.458 ' HB2' HD21 ' A' ' 70' ' ' ASN . 99.2 mt-10 . . . . . 0 C--N 1.323 -0.567 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 179.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.4 ttpp . . . . . 0 C--O 1.236 0.347 0 CA-C-O 120.941 0.401 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.699 ' O ' HG23 ' A' ' 83' ' ' VAL . 1.8 mp0 -81.4 -35.21 31.0 Favored 'General case' 0 C--O 1.219 -0.541 0 CA-C-O 121.153 0.501 . . . . 0.0 110.666 179.757 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.464 HG21 ' N ' ' A' ' 17' ' ' TRP . 33.7 t -61.58 -43.28 96.72 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 C-N-CA 120.246 -0.582 . . . . 0.0 110.112 -179.364 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 35.2 m80 -66.51 -44.12 83.4 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.48 -21.86 55.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.951 0.405 . . . . 0.0 111.186 179.723 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.699 HG23 ' O ' ' A' ' 79' ' ' GLU . 54.6 t -82.35 136.55 22.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.136 179.287 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -106.36 157.87 17.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.177 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.813 HG13 ' CD1' ' A' ' 24' ' ' LEU . 31.6 t -127.15 120.28 54.91 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.135 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -87.05 147.84 25.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.808 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.459 ' O ' HG13 ' A' ' 87' ' ' VAL . 5.0 p -128.75 129.14 68.36 Favored 'Isoleucine or valine' 0 C--O 1.232 0.173 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.462 179.708 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 7.5 p90 . . . . . 0 C--O 1.219 -0.536 0 CA-C-O 118.079 -0.963 . . . . 0.0 110.462 179.73 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.5 m . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.824 0.345 . . . . 0.0 110.737 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.7 mp -133.99 131.7 55.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.007 179.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.6 t -124.37 -179.7 4.57 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.522 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 -114.82 134.23 55.3 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.064 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.52 152.1 26.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.533 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.447 ' C ' HG11 ' A' ' 80' ' ' VAL . 69.4 mttt -100.64 -42.98 6.31 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.808 -179.013 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -147.41 150.34 34.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.715 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.7 ' N ' HG21 ' A' ' 80' ' ' VAL . 61.0 t90 -52.73 135.62 34.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.815 179.777 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -164.41 161.41 21.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.358 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -48.68 -37.47 18.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.513 -179.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -68.31 -43.94 76.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.855 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.403 ' N ' HD13 ' A' ' 21' ' ' ILE . 8.1 mm -70.94 -60.25 2.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.273 -179.603 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.51 ' OE1' ' CZ ' ' A' ' 55' ' ' TYR . 88.2 tt0 -40.46 -47.99 2.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.268 -179.383 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -61.33 -48.93 79.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.204 179.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.831 ' CD1' HG13 ' A' ' 85' ' ' VAL . 68.3 mt -58.42 -39.27 79.32 Favored 'General case' 0 CA--C 1.512 -0.506 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.739 -179.485 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -58.39 -50.02 75.17 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.263 178.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.519 ' NH2' ' O ' ' A' ' 70' ' ' ASN . 94.0 mtt180 -62.12 -45.58 92.86 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 -179.607 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -60.67 -51.78 67.91 Favored 'General case' 0 CA--C 1.527 0.09 0 CA-C-N 116.493 -0.322 . . . . 0.0 110.319 179.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.549 ' NE2' ' O ' ' A' ' 84' ' ' LYS . 65.1 mt-30 -56.16 -41.63 75.73 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.124 -179.583 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 52.3 mm-40 -60.59 -41.81 95.45 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.753 178.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.514 ' O ' ' N ' ' A' ' 62' ' ' ARG . . . -72.48 -18.4 61.68 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.907 0.384 . . . . 0.0 110.453 179.461 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.433 ' O ' ' NE ' ' A' ' 62' ' ' ARG . . . 105.56 0.22 40.01 Favored Glycine 0 CA--C 1.527 0.817 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.535 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.529 ' CE2' ' O ' ' A' ' 60' ' ' GLN . 13.4 m-85 -95.74 148.88 22.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.078 0.466 . . . . 0.0 110.66 179.729 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.0 -39.13 15.95 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.764 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -166.33 173.62 9.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.699 -179.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -44.12 -30.66 0.79 Allowed 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.954 -179.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 95.0 mt -57.68 -48.72 82.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 C-N-CA 120.737 -0.385 . . . . 0.0 111.063 -178.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.535 ' O ' HG23 ' A' ' 41' ' ' VAL . 53.2 tp10 -69.12 -44.18 72.9 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.932 0.396 . . . . 0.0 111.397 -179.513 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.501 ' CD2' HD11 ' A' ' 59' ' ' LEU . 2.0 t80 -59.54 -49.78 76.45 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-O 121.55 0.691 . . . . 0.0 110.801 -178.269 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.593 ' O ' ' N ' ' A' ' 43' ' ' GLN . 58.1 mtpt -60.06 -38.78 83.84 Favored 'General case' 0 C--O 1.222 -0.345 0 O-C-N 122.083 -0.386 . . . . 0.0 110.618 -178.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -64.21 -39.39 93.88 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.821 0.344 . . . . 0.0 110.455 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 37' ' ' GLU . 64.2 t -59.14 -45.36 92.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.802 -178.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.447 ' HZ1' ' CB ' ' A' ' 60' ' ' GLN . 41.8 mmtm -102.65 -0.28 32.1 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.043 179.726 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.593 ' N ' ' O ' ' A' ' 39' ' ' LYS . 45.4 tt0 46.99 67.63 0.76 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.669 -179.564 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.421 HG22 ' HA ' ' A' ' 39' ' ' LYS . 33.1 m -119.51 -163.5 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.456 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -123.14 -33.87 3.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.733 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.5 mmt -134.92 160.68 37.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.825 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.492 HG13 ' HE2' ' A' ' 38' ' ' TYR . 97.2 t -104.37 142.04 18.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.443 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -74.48 118.45 17.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.935 0.398 . . . . 0.0 110.263 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 25.6 mtp85 -137.54 172.54 12.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.295 -179.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.4 ' HE1' ' HA ' ' A' ' 57' ' ' LYS . 73.8 m95 -101.53 143.01 25.75 Favored Pre-proline 0 C--O 1.221 -0.422 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.033 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -66.7 -26.79 45.47 Favored 'Trans proline' 0 C--N 1.303 -1.853 0 C-N-CA 122.506 2.137 . . . . 0.0 112.395 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.424 ' HG2' HG23 ' A' ' 53' ' ' THR . 33.7 tt0 -54.48 -53.46 54.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.971 -178.31 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.53 ' OG1' ' CD2' ' A' ' 55' ' ' TYR . 75.1 p -125.17 -32.09 3.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.954 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 97.43 25.25 11.13 Favored Glycine 0 C--O 1.224 -0.485 0 C-N-CA 120.658 -0.782 . . . . 0.0 111.234 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.53 ' CD2' ' OG1' ' A' ' 53' ' ' THR . 23.1 m-85 -85.51 161.78 19.21 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-O 120.604 0.24 . . . . 0.0 110.641 179.372 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.44 HG11 HD13 ' A' ' 59' ' ' LEU . 38.9 t -63.42 125.59 20.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.482 -178.516 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.4 ' HA ' ' HE1' ' A' ' 50' ' ' TRP . 75.5 tttt -78.26 -51.21 10.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.679 179.521 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 63.5 pttt -137.88 143.83 41.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.116 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.501 HD11 ' CD2' ' A' ' 38' ' ' TYR . 9.1 tp -147.9 128.27 13.95 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.529 ' O ' ' CE2' ' A' ' 32' ' ' TYR . 24.6 tt0 -80.78 132.65 35.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.693 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 7.3 mtm180 -76.96 166.79 22.85 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.8 -179.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.514 ' N ' ' O ' ' A' ' 30' ' ' ALA . 7.7 mtt-85 -65.58 -7.0 12.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.491 179.629 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.418 ' O ' ' CB ' ' A' ' 64' ' ' ASN . 96.5 m-20 -99.07 6.76 46.43 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.693 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.418 ' CB ' ' O ' ' A' ' 63' ' ' ASP . 2.5 m-20 78.27 -2.74 2.38 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-O 120.884 0.373 . . . . 0.0 110.639 179.758 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 23.9 p -81.01 127.64 32.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.404 179.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -76.12 127.97 34.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.469 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -125.68 116.89 22.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.297 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -81.84 139.06 34.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.419 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -108.55 157.96 17.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.835 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.519 ' O ' ' NH2' ' A' ' 26' ' ' ARG . 2.3 p-10 -99.76 138.76 36.4 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.686 179.649 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 40.1 pttt -82.38 -11.64 58.43 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.82 179.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 . . . . . 0 CA--C 1.509 -0.6 0 CA-C-O 118.956 -0.545 . . . . 0.0 110.952 -178.881 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 98.5 mttt . . . . . 0 C--O 1.24 0.603 0 CA-C-O 121.107 0.48 . . . . 0.0 110.75 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.683 ' O ' HG23 ' A' ' 83' ' ' VAL . 47.4 mp0 -78.21 -35.72 48.16 Favored 'General case' 0 C--O 1.213 -0.847 0 CA-C-O 121.164 0.506 . . . . 0.0 110.692 179.404 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.7 HG21 ' N ' ' A' ' 17' ' ' TRP . 55.3 t -57.07 -47.17 84.18 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.914 0 C-N-CA 120.178 -0.609 . . . . 0.0 110.139 179.604 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 16.6 t-160 -62.02 -46.92 87.08 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.385 -0.526 . . . . 0.0 111.862 -178.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -77.9 -25.06 48.26 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.675 -0.41 . . . . 0.0 111.821 -179.748 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.683 HG23 ' O ' ' A' ' 79' ' ' GLU . 24.0 t -71.26 132.19 33.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.26 -179.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.549 ' O ' ' NE2' ' A' ' 28' ' ' GLN . 29.8 mtmm -109.51 123.73 49.88 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.969 179.157 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.831 HG13 ' CD1' ' A' ' 24' ' ' LEU . 21.8 t -95.64 121.18 45.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.918 0.39 . . . . 0.0 110.656 -179.029 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.501 ' CD1' ' O ' ' A' ' 86' ' ' TYR . 0.4 OUTLIER -81.77 149.7 28.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.595 -179.931 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 8.8 m -126.27 137.4 57.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.656 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 50.4 p90 . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 117.911 -1.042 . . . . 0.0 110.512 179.755 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 72.1 m . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 120.911 0.386 . . . . 0.0 110.658 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.3 mp -135.69 134.87 51.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.79 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 20.6 t -115.48 178.57 4.25 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.451 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.43 127.56 55.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.676 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.55 146.71 53.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.553 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.749 ' C ' HG11 ' A' ' 80' ' ' VAL . 8.5 mmtm -103.88 -40.74 6.12 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.158 179.554 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.895 ' CD ' ' H ' ' A' ' 17' ' ' TRP . 0.4 OUTLIER -125.86 175.2 7.82 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.115 178.899 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.895 ' H ' ' CD ' ' A' ' 16' ' ' LYS . 64.4 t90 -95.89 131.96 41.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.207 178.645 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 21' ' ' ILE . 50.4 m -159.97 159.84 32.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.754 179.59 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.2 pt-20 -44.13 -28.37 0.49 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.231 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -68.22 -44.0 76.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.384 179.23 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.423 ' N ' ' O ' ' A' ' 18' ' ' SER . 8.4 mm -72.44 -60.95 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.283 -0.417 . . . . 0.0 109.898 -179.423 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.47 ' CD ' ' N ' ' A' ' 23' ' ' ASN . 2.3 tm-20 -39.87 -51.13 2.46 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.589 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.47 ' N ' ' CD ' ' A' ' 22' ' ' GLU . 1.5 t30 -58.15 -49.63 76.31 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.031 -179.356 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.761 ' CD1' HG13 ' A' ' 85' ' ' VAL . 75.9 mt -57.82 -40.92 81.13 Favored 'General case' 0 CA--C 1.513 -0.468 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.476 -179.577 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -59.32 -49.15 78.95 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 178.347 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.447 ' NH2' ' O ' ' A' ' 70' ' ' ASN . 95.0 mtt180 -61.48 -47.22 86.65 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.0 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -61.29 -50.48 72.83 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-O 120.858 0.361 . . . . 0.0 110.568 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -57.08 -41.7 79.3 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.884 -179.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.462 ' O ' ' NH1' ' A' ' 62' ' ' ARG . 80.4 mm-40 -61.37 -39.8 91.96 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.809 0.338 . . . . 0.0 110.489 178.509 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.16 -16.33 61.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.367 179.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 102.89 7.31 44.63 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.561 -0.615 . . . . 0.0 111.561 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.615 ' CE1' HG21 ' A' ' 41' ' ' VAL . 15.3 m-85 -108.6 151.51 26.03 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.818 0.342 . . . . 0.0 110.507 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.04 -39.02 16.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.114 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -170.61 179.87 3.15 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.507 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -40.8 -36.18 0.59 Allowed 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.376 -179.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 94.4 mt -48.01 -62.3 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 C-N-CA 120.789 -0.364 . . . . 0.0 111.375 -179.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.597 ' O ' HG23 ' A' ' 41' ' ' VAL . 1.1 tm-20 -65.03 -48.37 74.09 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.861 -0.335 . . . . 0.0 111.58 -179.126 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.448 ' C ' ' CD1' ' A' ' 38' ' ' TYR . 1.7 t80 -53.21 -51.17 63.0 Favored 'General case' 0 N--CA 1.444 -0.733 0 C-N-CA 120.098 -0.641 . . . . 0.0 110.779 -177.602 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.604 ' O ' ' N ' ' A' ' 43' ' ' GLN . 29.3 mttp -61.73 -42.41 98.93 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 120.891 -0.323 . . . . 0.0 110.773 -179.621 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -62.19 -40.7 96.94 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.934 -179.402 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.615 HG21 ' CE1' ' A' ' 32' ' ' TYR . 76.6 t -60.11 -46.23 94.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.958 -178.709 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.57 ' O ' HG13 ' A' ' 44' ' ' VAL . 64.8 mmtt -103.95 7.52 36.7 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.853 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.604 ' N ' ' O ' ' A' ' 39' ' ' LYS . 94.0 mt-30 44.73 54.73 6.42 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.609 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.57 HG13 ' O ' ' A' ' 42' ' ' LYS . 18.9 m -125.26 -170.6 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.621 -179.749 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -142.97 -36.44 0.38 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 29.7 mmm -95.08 129.32 42.21 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.147 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.0 t -107.89 134.97 48.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.284 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -71.49 123.43 22.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.811 0.339 . . . . 0.0 110.488 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.53 ' NE ' ' O ' ' A' ' 54' ' ' GLY . 33.2 mtp180 -141.76 164.29 30.6 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.478 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.476 ' O ' ' N ' ' A' ' 54' ' ' GLY . 75.0 m95 -93.86 139.21 22.61 Favored Pre-proline 0 C--O 1.223 -0.313 0 C-N-CA 120.463 -0.495 . . . . 0.0 110.945 -179.691 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -64.25 -29.57 64.15 Favored 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 122.587 2.191 . . . . 0.0 112.546 -179.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -49.68 -50.8 42.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.418 -178.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.518 ' OG1' ' CD2' ' A' ' 55' ' ' TYR . 21.3 p -128.47 -31.69 2.25 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.978 179.547 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.53 ' O ' ' NE ' ' A' ' 49' ' ' ARG . . . 97.09 23.71 14.31 Favored Glycine 0 C--O 1.227 -0.317 0 N-CA-C 111.283 -0.727 . . . . 0.0 111.283 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.518 ' CD2' ' OG1' ' A' ' 53' ' ' THR . 28.9 m-85 -81.58 158.53 24.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.627 0.251 . . . . 0.0 110.563 179.644 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.559 HG11 HD13 ' A' ' 59' ' ' LEU . 48.5 t -59.68 124.71 14.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.836 -179.386 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 44.0 tttm -75.92 -47.02 26.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.055 179.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -145.26 145.79 31.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.234 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.559 HD13 HG11 ' A' ' 56' ' ' VAL . 7.2 tp -146.36 127.01 14.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.969 0.414 . . . . 0.0 110.648 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -81.47 132.88 35.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.419 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.415 ' HE ' ' HB2' ' A' ' 67' ' ' PHE . 7.9 mtt180 -75.3 171.54 14.02 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.221 0.534 . . . . 0.0 110.706 -179.514 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.676 ' H ' ' CD ' ' A' ' 62' ' ' ARG . 0.1 OUTLIER -68.22 -11.27 59.03 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.349 179.029 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -94.97 8.37 43.07 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.652 -179.071 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 18.3 m-20 70.41 37.43 1.54 Allowed 'General case' 0 C--N 1.329 -0.288 0 O-C-N 123.535 0.522 . . . . 0.0 110.839 179.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 21.6 p -118.69 126.53 52.11 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.649 179.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -73.65 120.16 18.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.334 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.415 ' HB2' ' HE ' ' A' ' 61' ' ' ARG . 50.3 t80 -119.85 118.02 29.68 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.299 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -82.12 137.03 35.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.49 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -107.71 152.11 24.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.864 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.447 ' O ' ' NH2' ' A' ' 26' ' ' ARG . 8.9 t30 -94.21 125.81 39.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.994 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.407 ' HG3' ' N ' ' A' ' 72' ' ' GLU . 21.6 pttm -68.08 -33.13 73.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.33 0.586 . . . . 0.0 110.614 179.265 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.439 ' HB2' HD21 ' A' ' 70' ' ' ASN . 90.7 mt-10 . . . . . 0 C--N 1.323 -0.575 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.88 179.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt . . . . . 0 C--O 1.237 0.445 0 CA-C-O 120.87 0.367 . . . . 0.0 110.781 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.666 ' O ' HG23 ' A' ' 83' ' ' VAL . 0.5 OUTLIER -79.72 -32.66 41.25 Favored 'General case' 0 C--O 1.22 -0.499 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.446 -179.607 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.749 HG11 ' C ' ' A' ' 15' ' ' LYS . 72.5 t -60.71 -46.39 96.01 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 C-N-CA 120.357 -0.537 . . . . 0.0 110.369 179.609 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 60.7 t-80 -65.42 -45.99 81.74 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -178.029 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.02 -20.4 59.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.74 -179.536 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 79' ' ' GLU . 73.8 t -89.1 134.62 27.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.899 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -105.32 160.2 15.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.169 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.761 HG13 ' CD1' ' A' ' 24' ' ' LEU . 8.5 t -124.92 117.75 51.1 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.111 0 CA-C-O 120.857 0.36 . . . . 0.0 110.374 -179.471 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.585 ' CD1' ' O ' ' A' ' 86' ' ' TYR . 0.4 OUTLIER -75.09 144.1 43.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.489 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.6 m -128.39 126.8 66.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.048 0.452 . . . . 0.0 110.818 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 38.4 p90 . . . . . 0 C--O 1.221 -0.418 0 CA-C-O 117.978 -1.01 . . . . 0.0 110.421 179.756 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.8 m . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.864 0.364 . . . . 0.0 110.769 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.1 mp -133.37 123.22 46.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.353 179.196 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.9 m -135.39 137.14 42.02 Favored 'General case' 0 C--O 1.219 -0.533 0 C-N-CA 121.102 -0.239 . . . . 0.0 111.002 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -71.88 153.34 41.94 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.42 0.629 . . . . 0.0 109.891 -178.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.442 ' HB2' HD12 ' A' ' 21' ' ' ILE . . . -78.23 159.71 28.35 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.204 -179.358 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.81 -40.98 12.11 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 120.625 0.25 . . . . 0.0 110.417 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.41 ' CA ' HG11 ' A' ' 80' ' ' VAL . 15.1 tptt -133.52 -173.68 3.29 Favored 'General case' 0 C--O 1.226 -0.132 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.094 179.657 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.53 ' NE1' ' OE1' ' A' ' 22' ' ' GLU . 49.9 t90 -96.59 127.96 43.07 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.122 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 21.3 m -154.94 156.42 36.04 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.528 179.195 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -45.12 -28.99 0.82 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.314 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.48 ' OE1' ' N ' ' A' ' 20' ' ' GLU . 49.3 mp0 -69.58 -44.97 69.72 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.064 179.201 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.562 ' N ' HD13 ' A' ' 21' ' ' ILE . 3.9 mm -72.52 -60.97 1.9 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.387 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.31 -179.199 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.53 ' OE1' ' NE1' ' A' ' 17' ' ' TRP . 4.0 tp10 -46.73 -46.37 20.24 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.388 -178.49 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -56.82 -49.9 74.0 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.58 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.803 ' CD1' HG13 ' A' ' 85' ' ' VAL . 75.2 mt -55.79 -39.95 72.0 Favored 'General case' 0 C--O 1.215 -0.729 0 C-N-CA 120.459 -0.496 . . . . 0.0 110.155 -179.589 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 93.1 t80 -63.3 -47.22 83.18 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.844 0.354 . . . . 0.0 110.247 178.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.452 ' O ' ' HG3' ' A' ' 29' ' ' GLN . 87.1 mtt180 -60.63 -46.86 88.71 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.329 -179.307 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.465 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 24.9 m-85 -69.94 -46.57 65.04 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.932 0.396 . . . . 0.0 110.769 179.378 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -51.99 -50.62 60.95 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.833 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.452 ' HG3' ' O ' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -55.43 -18.59 7.23 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.115 0.483 . . . . 0.0 110.255 179.748 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 27' ' ' PHE . . . -89.81 -17.99 27.11 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.9 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.528 ' O ' ' NH2' ' A' ' 62' ' ' ARG . . . 106.35 3.11 38.28 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.652 -0.579 . . . . 0.0 111.652 -179.758 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.642 ' CE1' HG21 ' A' ' 41' ' ' VAL . 31.0 m-85 -105.75 146.27 30.04 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 120.954 0.407 . . . . 0.0 110.966 179.614 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.462 ' CD ' ' H ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -81.18 -35.01 31.93 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.296 179.795 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.483 ' OD2' HD12 ' A' ' 36' ' ' ILE . 46.6 p30 -157.0 166.53 33.09 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-O 121.044 0.449 . . . . 0.0 110.511 179.645 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -51.33 -27.89 10.82 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.845 -179.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.483 HD12 ' OD2' ' A' ' 34' ' ' ASP . 93.4 mt -58.25 -47.99 86.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.688 -178.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 33.2 tp10 -65.52 -38.88 90.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.93 0.395 . . . . 0.0 110.397 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.589 ' CD1' HD11 ' A' ' 59' ' ' LEU . 22.6 t80 -60.54 -47.49 85.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.586 179.379 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.566 ' O ' ' N ' ' A' ' 43' ' ' GLN . 98.3 mttt -60.23 -39.45 86.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.964 -178.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.411 ' O ' ' OE1' ' A' ' 43' ' ' GLN . 0.9 OUTLIER -61.45 -42.55 98.94 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.163 0.506 . . . . 0.0 110.45 -179.753 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.642 HG21 ' CE1' ' A' ' 32' ' ' TYR . 79.4 t -62.7 -42.54 96.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.155 -179.473 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.7 mmtt -96.37 -0.02 49.97 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.292 179.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.566 ' N ' ' O ' ' A' ' 39' ' ' LYS . 30.0 mm100 41.89 50.9 4.17 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.618 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.555 ' O ' ' HB2' ' A' ' 45' ' ' ALA . 8.0 m -102.26 -112.87 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.898 0.38 . . . . 0.0 110.749 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.555 ' HB2' ' O ' ' A' ' 44' ' ' VAL . . . 170.65 -24.89 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.666 -179.718 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.444 ' SD ' ' C ' ' A' ' 46' ' ' MET . 3.6 ppp? -141.67 152.02 43.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.319 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 19.4 t -109.44 136.6 44.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.299 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -61.86 129.45 41.02 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.542 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 91.1 mtt-85 -140.96 159.16 42.8 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.987 -179.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.541 ' O ' ' N ' ' A' ' 54' ' ' GLY . 67.9 m95 -92.55 138.13 24.06 Favored Pre-proline 0 C--O 1.216 -0.7 0 C-N-CA 120.222 -0.591 . . . . 0.0 110.635 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -64.11 -33.21 62.26 Favored 'Trans proline' 0 C--N 1.3 -2.008 0 C-N-CA 122.366 2.044 . . . . 0.0 112.49 -179.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -51.67 -50.56 60.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.233 -178.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 13.1 p -123.05 -30.02 3.82 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.816 0.341 . . . . 0.0 111.469 179.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.541 ' N ' ' O ' ' A' ' 50' ' ' TRP . . . 89.49 21.62 40.11 Favored Glycine 0 N--CA 1.464 0.541 0 C-N-CA 120.53 -0.843 . . . . 0.0 111.126 -179.679 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -80.56 163.37 23.74 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.621 179.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 75.9 t -60.09 123.51 12.73 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.335 0 O-C-N 123.565 0.54 . . . . 0.0 110.085 -179.62 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.404 ' HA ' ' HE1' ' A' ' 50' ' ' TRP . 38.7 tttm -77.24 -49.51 14.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.956 0.407 . . . . 0.0 110.989 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -150.84 148.98 29.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.75 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.596 HD13 ' N ' ' A' ' 60' ' ' GLN . 0.2 OUTLIER -147.59 129.37 15.21 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.032 179.394 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.596 ' N ' HD13 ' A' ' 59' ' ' LEU . 29.4 tt0 -79.14 134.03 36.72 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.305 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.3 mtm180 -78.47 172.67 13.31 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.604 0.716 . . . . 0.0 110.657 -179.151 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.528 ' NH2' ' O ' ' A' ' 31' ' ' GLY . 8.1 tpp180 -68.79 -11.13 60.04 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.387 179.154 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -95.96 12.37 30.63 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.997 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 64.63 37.94 7.44 Favored 'General case' 0 N--CA 1.454 -0.267 0 O-C-N 123.823 0.702 . . . . 0.0 111.261 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 24.5 p -117.88 126.58 52.64 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.417 179.033 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -72.27 122.97 21.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.414 -179.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -120.18 111.78 18.27 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.106 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -82.3 135.35 35.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.676 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.447 ' OH ' ' CG ' ' A' ' 29' ' ' GLN . 74.8 m-85 -105.55 153.15 22.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.369 179.568 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.63 HD21 ' CB ' ' A' ' 72' ' ' GLU . 42.1 t30 -94.31 112.55 24.35 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.681 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.504 ' HG3' ' N ' ' A' ' 72' ' ' GLU . 60.5 pttt -43.39 -37.26 2.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.118 0.485 . . . . 0.0 110.485 -179.637 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.63 ' CB ' HD21 ' A' ' 70' ' ' ASN . 2.8 tt0 . . . . . 0 C--N 1.322 -0.616 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 26.2 mmtm . . . . . 0 C--O 1.234 0.269 0 CA-C-O 121.049 0.452 . . . . 0.0 110.82 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.858 ' O ' HG23 ' A' ' 83' ' ' VAL . 3.8 mm-40 -82.12 -32.16 30.3 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.257 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.41 HG11 ' CA ' ' A' ' 16' ' ' LYS . 84.7 t -58.0 -40.51 77.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.164 0.507 . . . . 0.0 109.844 -179.709 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 55.4 m170 -73.43 -39.37 65.05 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.061 179.274 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.66 -21.43 62.6 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.719 179.484 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.858 HG23 ' O ' ' A' ' 79' ' ' GLU . 92.2 t -87.25 138.44 19.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.468 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -108.32 141.87 39.49 Favored 'General case' 0 C--O 1.225 -0.214 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.564 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.803 HG13 ' CD1' ' A' ' 24' ' ' LEU . 49.3 t -116.62 122.81 70.7 Favored 'Isoleucine or valine' 0 C--O 1.231 0.119 0 CA-C-O 120.98 0.419 . . . . 0.0 110.411 179.733 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.559 ' CD1' ' O ' ' A' ' 86' ' ' TYR . 0.4 OUTLIER -88.0 146.42 25.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.495 179.91 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.529 ' O ' HG13 ' A' ' 87' ' ' VAL . 4.6 p -128.41 125.76 64.46 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.455 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 20.2 p90 . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 118.062 -0.97 . . . . 0.0 110.383 179.771 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 71.3 m . . . . . 0 CA--C 1.523 -0.076 0 CA-C-O 120.798 0.332 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.6 mp -126.91 132.03 70.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.417 179.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 45.8 t -122.95 178.16 5.18 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.478 -179.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.523 HH12 ' C ' ' A' ' 82' ' ' LYS . 26.3 mmt180 -117.64 132.16 56.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.785 179.676 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.47 ' HB2' HD12 ' A' ' 21' ' ' ILE . . . -66.3 152.41 45.02 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.592 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.702 ' H ' ' CD ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -95.16 -38.1 10.74 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.389 -179.644 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.452 ' CG ' ' N ' ' A' ' 17' ' ' TRP . 0.2 OUTLIER -136.88 -171.33 2.91 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 -179.661 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.452 ' N ' ' CG ' ' A' ' 16' ' ' LYS . 65.4 t90 -97.2 127.94 43.62 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.792 179.243 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 21' ' ' ILE . 47.2 t -155.5 156.02 34.48 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.462 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.2 pt-20 -43.76 -29.92 0.59 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.366 -179.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -66.02 -43.05 88.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.515 179.033 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.47 HD12 ' HB2' ' A' ' 14' ' ' ALA . 6.1 mm -72.9 -58.74 4.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 109.889 -179.667 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.462 ' CD ' ' N ' ' A' ' 23' ' ' ASN . 2.3 tm-20 -43.33 -52.15 5.98 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.886 -0.412 . . . . 0.0 109.886 -179.41 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.462 ' N ' ' CD ' ' A' ' 22' ' ' GLU . 2.6 t30 -57.38 -49.43 76.2 Favored 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 120.338 -0.545 . . . . 0.0 110.622 -179.648 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.805 ' CD1' HG13 ' A' ' 85' ' ' VAL . 62.0 mt -57.58 -41.63 81.51 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 119.974 -0.69 . . . . 0.0 109.999 -179.151 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -60.69 -48.79 80.19 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.483 178.458 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -62.15 -45.87 91.48 Favored 'General case' 0 C--O 1.225 -0.222 0 C-N-CA 120.569 -0.453 . . . . 0.0 110.641 -179.203 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -66.31 -47.61 72.98 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.175 -0.61 . . . . 0.0 110.469 -179.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -59.2 -44.19 92.23 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.123 -179.063 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.544 ' NE2' ' OH ' ' A' ' 69' ' ' TYR . 2.3 pp0? -69.78 -22.31 63.35 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.144 -0.622 . . . . 0.0 109.652 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.97 -16.71 43.11 Favored 'General case' 0 N--CA 1.457 -0.103 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.705 179.356 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.495 ' O ' ' NE ' ' A' ' 62' ' ' ARG . . . 107.8 -0.88 33.98 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.538 -0.625 . . . . 0.0 111.538 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.537 ' CD1' ' OE1' ' A' ' 37' ' ' GLU . 2.5 m-85 -110.63 148.85 31.37 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-O 121.176 0.512 . . . . 0.0 110.021 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.79 -35.56 19.07 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.996 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.446 ' CG ' ' H ' ' A' ' 35' ' ' GLU . 39.7 t0 -171.66 -178.37 2.24 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.496 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.446 ' H ' ' CG ' ' A' ' 34' ' ' ASP . 22.8 pt-20 -44.56 -41.72 6.72 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.908 -178.419 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -47.55 -63.69 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.437 -1.095 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.661 -179.304 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.537 ' OE1' ' CD1' ' A' ' 32' ' ' TYR . 13.0 tm-20 -64.33 -40.69 96.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.065 -178.477 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.57 ' CE2' HD11 ' A' ' 59' ' ' LEU . 1.4 t80 -59.64 -51.13 71.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.42 0.629 . . . . 0.0 110.44 -178.193 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.605 ' O ' ' N ' ' A' ' 43' ' ' GLN . 5.4 mtpm? -57.75 -39.57 77.7 Favored 'General case' 0 CA--C 1.509 -0.6 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.657 -178.428 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.436 ' O ' ' OE1' ' A' ' 43' ' ' GLN . 0.7 OUTLIER -60.68 -42.31 96.85 Favored 'General case' 0 C--N 1.319 -0.759 0 C-N-CA 120.609 -0.437 . . . . 0.0 110.655 -179.814 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 74.4 t -59.43 -46.07 93.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.709 -178.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.524 ' O ' HG13 ' A' ' 44' ' ' VAL . 38.7 mmtm -102.65 3.97 37.73 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.834 -0.347 . . . . 0.0 110.89 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.605 ' N ' ' O ' ' A' ' 39' ' ' LYS . 30.1 mm100 47.72 51.3 14.25 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.633 -179.747 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.524 HG13 ' O ' ' A' ' 42' ' ' LYS . 31.9 m -124.75 -172.49 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.479 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -135.33 -34.87 0.84 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.933 -179.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 26.4 ptt? -97.94 147.86 24.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.953 -179.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 47.8 t -116.41 134.79 58.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -72.33 122.36 21.02 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 110.351 -0.24 . . . . 0.0 110.351 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 41.4 mtt180 -140.48 163.89 31.62 Favored 'General case' 0 C--O 1.233 0.218 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.337 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.498 ' O ' ' N ' ' A' ' 54' ' ' GLY . 91.3 m95 -89.86 140.43 27.77 Favored Pre-proline 0 C--O 1.221 -0.406 0 C-N-CA 120.193 -0.603 . . . . 0.0 110.981 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -65.75 -28.71 51.5 Favored 'Trans proline' 0 N--CA 1.499 1.816 0 C-N-CA 122.062 1.841 . . . . 0.0 112.965 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -57.59 -50.41 73.21 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.898 -178.154 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 81.9 p -119.61 -27.82 5.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.74 -179.172 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 50' ' ' TRP . . . 90.45 13.79 59.44 Favored Glycine 0 CA--C 1.524 0.627 0 C-N-CA 120.232 -0.985 . . . . 0.0 111.088 -178.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -84.6 157.09 21.31 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 120.24 -0.584 . . . . 0.0 111.112 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.474 HG11 HD13 ' A' ' 59' ' ' LEU . 38.8 t -57.43 125.97 14.26 Favored 'Isoleucine or valine' 0 C--O 1.232 0.181 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.433 -179.097 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.441 ' CD ' ' CZ2' ' A' ' 50' ' ' TRP . 24.7 ttpp -76.4 -51.37 11.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.124 179.53 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -143.17 145.37 32.75 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.292 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.57 HD11 ' CE2' ' A' ' 38' ' ' TYR . 6.1 tp -146.36 129.84 16.85 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.162 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -80.25 134.09 36.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.664 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 7.4 mtm180 -76.38 171.06 15.2 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.887 -179.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.495 ' NE ' ' O ' ' A' ' 31' ' ' GLY . 7.8 mtt180 -67.85 -9.63 46.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.007 179.302 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -97.88 14.35 27.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.063 -179.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 63.65 38.2 9.64 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-O 120.769 0.318 . . . . 0.0 111.268 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 24.5 p -120.29 130.35 54.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.461 178.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 -73.36 120.85 19.54 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.3 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -118.73 114.47 22.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.123 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -82.88 135.51 34.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.726 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.544 ' OH ' ' NE2' ' A' ' 29' ' ' GLN . 58.8 m-85 -105.31 150.99 24.7 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.653 179.611 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 72' ' ' GLU . 7.7 t30 -93.8 118.05 30.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.189 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.1 ptmm? -59.4 -34.79 72.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.301 179.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.448 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 99.6 mt-10 . . . . . 0 C--N 1.321 -0.669 0 C-N-CA 120.103 -0.639 . . . . 0.0 109.876 179.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.175 0 CA-C-O 121.054 0.454 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.687 ' O ' HG23 ' A' ' 83' ' ' VAL . 79.5 mm-40 -82.63 -30.35 29.46 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.466 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 77.6 t -58.77 -46.78 90.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.513 ' O ' ' NH1' ' A' ' 13' ' ' ARG . 69.2 m80 -67.67 -40.1 84.47 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.026 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.523 ' C ' HH12 ' A' ' 13' ' ' ARG . 0.1 OUTLIER -70.34 -27.24 64.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.857 0.36 . . . . 0.0 110.68 179.838 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.687 HG23 ' O ' ' A' ' 79' ' ' GLU . 97.6 t -85.96 135.38 25.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.782 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -104.55 157.36 17.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.134 179.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.805 HG13 ' CD1' ' A' ' 24' ' ' LEU . 17.5 t -124.53 120.45 59.03 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.562 ' CD1' ' O ' ' A' ' 86' ' ' TYR . 0.3 OUTLIER -88.42 146.69 25.09 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.953 -179.522 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.9 m -128.8 127.01 65.92 Favored 'Isoleucine or valine' 0 C--O 1.232 0.132 0 CA-C-O 121.124 0.488 . . . . 0.0 110.646 179.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 35.3 p90 . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 117.93 -1.033 . . . . 0.0 110.437 -179.92 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 41.6 m . . . . . 0 N--CA 1.454 -0.255 0 CA-C-O 120.791 0.329 . . . . 0.0 110.696 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.2 mp -130.29 131.75 65.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.348 179.298 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 65.3 m -120.57 176.2 5.62 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.589 -179.548 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.6 mmt85 -114.87 131.6 56.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.265 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.568 ' HB3' HG13 ' A' ' 80' ' ' VAL . . . -63.17 146.06 54.16 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.795 -179.524 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.424 ' C ' HG11 ' A' ' 80' ' ' VAL . 95.5 mttt -88.98 -38.97 14.04 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.779 -0.368 . . . . 0.0 111.762 -179.675 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.411 ' C ' HG21 ' A' ' 80' ' ' VAL . 88.3 tttt -149.3 151.04 33.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.434 -179.471 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.719 ' N ' HG21 ' A' ' 80' ' ' VAL . 71.4 t90 -54.34 134.6 45.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.05 -179.175 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -159.49 159.88 34.01 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.102 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -47.62 -31.96 5.07 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.35 -179.07 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -69.46 -39.42 77.76 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.66 178.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.52 ' N ' HD13 ' A' ' 21' ' ' ILE . 3.5 mm -70.74 -58.13 6.08 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.356 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 -178.703 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.474 ' CD ' ' N ' ' A' ' 23' ' ' ASN . 1.7 tm-20 -44.53 -50.61 9.48 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 120.539 -0.464 . . . . 0.0 109.871 -178.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.474 ' N ' ' CD ' ' A' ' 22' ' ' GLU . 2.2 t30 -58.06 -49.07 78.17 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.931 -179.202 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.788 HD13 HG13 ' A' ' 85' ' ' VAL . 54.2 mt -59.59 -40.76 88.5 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.016 -0.673 . . . . 0.0 110.041 -179.432 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -61.27 -49.38 77.31 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.418 178.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.42 ' O ' ' HG3' ' A' ' 29' ' ' GLN . 94.6 mtt180 -61.67 -44.17 97.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.368 0.604 . . . . 0.0 110.02 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.457 ' CE2' ' C ' ' A' ' 34' ' ' ASP . 6.4 m-85 -65.64 -49.07 70.01 Favored 'General case' 0 C--N 1.321 -0.639 0 O-C-N 121.437 -0.789 . . . . 0.0 110.651 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -59.73 -45.85 90.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.48 -179.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.42 ' HG3' ' O ' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -67.0 -21.33 65.95 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.559 -0.456 . . . . 0.0 109.813 179.777 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -89.06 -14.25 36.8 Favored 'General case' 0 CA--C 1.528 0.123 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.624 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 103.3 -4.84 48.41 Favored Glycine 0 CA--C 1.528 0.855 0 N-CA-C 111.325 -0.71 . . . . 0.0 111.325 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.506 ' CE1' HG21 ' A' ' 41' ' ' VAL . 15.3 m-85 -100.16 150.6 22.34 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-O 121.022 0.439 . . . . 0.0 110.078 -179.714 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.98 -38.41 16.64 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.838 -179.336 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.457 ' C ' ' CE2' ' A' ' 27' ' ' PHE . 44.7 t0 -168.69 177.27 5.21 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.536 -179.585 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.428 ' H ' ' CG ' ' A' ' 34' ' ' ASP . 98.5 mt-10 -45.95 -32.08 2.54 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 123.555 0.534 . . . . 0.0 110.939 -179.001 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 93.2 mt -57.84 -48.75 83.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.962 -179.047 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.502 ' O ' HG23 ' A' ' 41' ' ' VAL . 51.1 tp10 -68.71 -42.86 77.1 Favored 'General case' 0 CA--C 1.513 -0.447 0 C-N-CA 120.889 -0.324 . . . . 0.0 111.612 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.531 ' CD2' HD11 ' A' ' 59' ' ' LEU . 1.7 t80 -58.64 -50.19 74.74 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 119.46 -0.896 . . . . 0.0 110.157 -178.028 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.525 ' O ' ' N ' ' A' ' 43' ' ' GLN . 57.7 mttp -59.0 -40.49 85.04 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.727 -179.22 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -62.45 -40.1 95.5 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.702 179.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.506 HG21 ' CE1' ' A' ' 32' ' ' TYR . 60.2 t -58.84 -45.95 91.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.896 -179.27 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.577 ' O ' HG13 ' A' ' 44' ' ' VAL . 43.5 mmtm -100.8 5.72 43.59 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.657 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.525 ' N ' ' O ' ' A' ' 39' ' ' LYS . 0.8 OUTLIER 46.84 53.2 10.62 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.746 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.577 HG13 ' O ' ' A' ' 42' ' ' LYS . 34.1 m -125.24 -171.73 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.447 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -145.93 30.2 1.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.719 -179.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 4.0 mmm -159.89 128.41 4.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.001 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.489 HG13 ' HE2' ' A' ' 38' ' ' TYR . 80.5 t -108.34 130.19 61.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.368 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -71.34 125.48 27.1 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.953 -0.299 . . . . 0.0 110.36 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 35.4 mtt85 -138.1 170.64 15.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.365 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 69.7 m95 -99.25 142.46 24.65 Favored Pre-proline 0 CA--C 1.534 0.332 0 C-N-CA 120.218 -0.593 . . . . 0.0 110.988 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -66.66 -24.24 48.16 Favored 'Trans proline' 0 N--CA 1.497 1.704 0 C-N-CA 122.242 1.961 . . . . 0.0 112.687 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -51.73 -52.64 46.95 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.135 -177.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 23.5 p -130.96 -26.89 2.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.116 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 96.82 27.55 9.5 Favored Glycine 0 CA--C 1.523 0.555 0 C-N-CA 120.417 -0.897 . . . . 0.0 111.559 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -88.75 158.94 18.01 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.39 -0.524 . . . . 0.0 110.627 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 61.0 t -59.34 126.24 16.69 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.07 -178.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 77.2 tttt -79.46 -49.94 11.54 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.712 179.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -138.91 141.59 38.52 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.253 -179.581 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.531 HD11 ' CD2' ' A' ' 38' ' ' TYR . 9.3 tp -147.0 129.0 15.47 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.166 -0.613 . . . . 0.0 110.114 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.519 ' CB ' ' HZ1' ' A' ' 42' ' ' LYS . 29.6 tt0 -79.73 133.87 36.36 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.985 -179.666 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 22.1 mtm180 -76.48 168.97 19.13 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.807 -179.099 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.24 -8.0 28.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.919 179.251 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -98.2 12.49 34.44 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.153 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 63.0 m-20 65.43 37.44 6.19 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.987 0.423 . . . . 0.0 111.507 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 28.1 p -119.93 132.1 55.42 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.494 179.021 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -77.09 121.17 23.19 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 -179.476 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -120.33 116.13 24.92 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.276 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -82.36 132.35 35.22 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.044 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -99.69 156.31 17.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.678 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.544 HD21 ' CB ' ' A' ' 72' ' ' GLU . 47.4 t30 -93.63 115.79 28.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.457 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.46 -22.27 63.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.13 179.533 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.544 ' CB ' HD21 ' A' ' 70' ' ' ASN . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 CA-C-O 121.353 0.597 . . . . 0.0 109.632 179.388 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.506 ' CD ' ' N ' ' A' ' 78' ' ' LYS . 10.9 mptt . . . . . 0 C--O 1.237 0.438 0 CA-C-O 121.027 0.441 . . . . 0.0 110.659 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.652 ' O ' HG23 ' A' ' 83' ' ' VAL . 1.0 OUTLIER -78.39 -34.5 48.13 Favored 'General case' 0 C--O 1.216 -0.69 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.95 179.827 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.719 HG21 ' N ' ' A' ' 17' ' ' TRP . 62.2 t -61.32 -45.0 99.48 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 C-N-CA 119.743 -0.783 . . . . 0.0 110.933 179.517 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -63.36 -44.71 94.02 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.982 -0.554 . . . . 0.0 112.02 -178.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.0 -22.41 42.5 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 120.347 -0.541 . . . . 0.0 110.959 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 79' ' ' GLU . 79.7 t -84.71 135.98 23.71 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.836 179.682 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 56.9 pttt -110.12 151.12 27.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.89 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.788 HG13 HD13 ' A' ' 24' ' ' LEU . 46.6 t -120.69 121.56 65.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 10.3 p90 -83.46 143.0 30.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.498 -179.487 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 6.1 m -126.58 131.56 71.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 CA-C-O 121.086 0.469 . . . . 0.0 110.744 179.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 55.7 p90 . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.404 -179.984 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 71.1 m . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.853 0.359 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.7 mp -129.18 134.79 63.32 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.236 179.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.3 t -121.87 178.46 4.86 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.578 -179.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 90.5 mtt-85 -114.32 132.89 56.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.96 179.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.64 144.49 56.21 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.314 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.437 ' C ' HG11 ' A' ' 80' ' ' VAL . 57.8 mmtt -96.64 -41.03 8.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.84 0.352 . . . . 0.0 111.141 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -146.57 148.8 32.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.023 0.44 . . . . 0.0 110.783 -179.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.511 ' N ' HG21 ' A' ' 80' ' ' VAL . 66.5 t90 -53.69 136.25 39.7 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.012 179.471 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.4 p -161.55 163.9 29.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.955 179.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 47.4 mp0 -51.08 -35.81 36.85 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.859 -178.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -67.94 -41.36 82.66 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.648 179.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 7.9 mm -71.21 -58.15 5.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 C-N-CA 120.684 -0.407 . . . . 0.0 110.054 -179.387 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.503 ' OE2' ' NH2' ' A' ' 26' ' ' ARG . 88.6 tt0 -44.04 -48.45 8.86 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -178.233 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -61.49 -48.53 80.64 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.756 179.365 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.786 ' CD1' HG13 ' A' ' 85' ' ' VAL . 52.3 mt -58.88 -39.31 81.04 Favored 'General case' 0 CA--C 1.514 -0.438 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.528 -179.176 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.447 ' CD1' ' C ' ' A' ' 25' ' ' TYR . 15.6 t80 -58.26 -49.69 76.22 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.09 178.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.503 ' NH2' ' OE2' ' A' ' 22' ' ' GLU . 95.7 mtt180 -62.09 -45.76 92.06 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.449 -0.5 . . . . 0.0 110.192 -179.221 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -62.84 -50.37 71.23 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.863 0.363 . . . . 0.0 110.996 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.511 ' NE2' ' O ' ' A' ' 84' ' ' LYS . 74.9 mt-30 -56.91 -40.09 75.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.816 -178.799 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 47.8 mm-40 -62.49 -40.65 97.36 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.172 178.363 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.53 -20.05 61.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.682 179.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 106.59 8.76 32.16 Favored Glycine 0 CA--C 1.522 0.505 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.512 ' CD1' ' OE1' ' A' ' 37' ' ' GLU . 18.9 m-85 -108.91 149.75 28.7 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.184 0.516 . . . . 0.0 110.769 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.696 ' CA ' ' HE ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -88.05 -38.07 15.76 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.78 -179.131 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.4 ' OD2' ' OH ' ' A' ' 86' ' ' TYR . 49.2 p-10 -164.85 174.14 10.93 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.944 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.4 mp0 -45.95 -35.37 4.62 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.369 -178.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 39.9 mm -52.08 -49.75 38.01 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-O 120.955 0.407 . . . . 0.0 110.643 -178.024 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.512 ' OE1' ' CD1' ' A' ' 32' ' ' TYR . 3.8 tm-20 -67.92 -41.57 82.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.652 -179.45 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -59.51 -47.13 86.71 Favored 'General case' 0 CA--C 1.511 -0.524 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.313 179.578 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.515 ' O ' ' N ' ' A' ' 43' ' ' GLN . 58.0 mttp -59.66 -41.97 91.78 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 120.411 -0.516 . . . . 0.0 111.064 -179.069 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 96.2 mm-40 -61.59 -42.77 99.34 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.323 -0.551 . . . . 0.0 110.698 -179.418 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.413 HG21 ' CE1' ' A' ' 32' ' ' TYR . 63.2 t -61.77 -44.79 99.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.757 0.313 . . . . 0.0 111.226 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.722 ' O ' HG13 ' A' ' 44' ' ' VAL . 31.0 mmtp -94.41 2.29 55.78 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.599 -179.402 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.515 ' N ' ' O ' ' A' ' 39' ' ' LYS . 99.0 mt-30 45.91 51.13 10.87 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.817 179.37 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.722 HG13 ' O ' ' A' ' 42' ' ' LYS . 33.1 m -130.68 -178.21 2.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.46 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -133.15 20.64 4.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.87 -179.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.24 137.69 15.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.689 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 16.5 t -110.83 134.73 52.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.964 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -70.17 124.76 24.92 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.547 ' NE ' ' O ' ' A' ' 54' ' ' GLY . 37.4 mtp180 -142.35 165.08 28.4 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.365 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.484 ' O ' ' N ' ' A' ' 54' ' ' GLY . 78.8 m95 -93.44 141.7 24.26 Favored Pre-proline 0 C--O 1.22 -0.459 0 C-N-CA 120.217 -0.593 . . . . 0.0 111.14 -179.423 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -66.24 -27.16 48.67 Favored 'Trans proline' 0 N--CA 1.496 1.676 0 C-N-CA 122.27 1.98 . . . . 0.0 112.764 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -53.7 -50.52 65.7 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.921 -177.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.548 ' OG1' ' CD2' ' A' ' 55' ' ' TYR . 75.5 p -127.4 -26.9 2.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.438 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.547 ' O ' ' NE ' ' A' ' 49' ' ' ARG . . . 92.79 18.84 39.2 Favored Glycine 0 C--O 1.224 -0.48 0 C-N-CA 120.051 -1.071 . . . . 0.0 111.067 -178.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.548 ' CD2' ' OG1' ' A' ' 53' ' ' THR . 24.6 m-85 -82.9 161.46 21.85 Favored 'General case' 0 CA--C 1.516 -0.358 0 C-N-CA 120.268 -0.573 . . . . 0.0 111.149 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.471 ' O ' ' NH1' ' A' ' 26' ' ' ARG . 41.2 t -62.45 122.48 13.32 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.487 -178.534 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -75.18 -49.93 17.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.566 179.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -142.62 144.67 32.91 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.178 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.444 HD12 ' HA ' ' A' ' 59' ' ' LEU . 9.0 tp -145.56 127.24 15.22 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.177 -179.341 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -84.58 133.01 34.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.206 -179.437 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 20.2 mtm180 -76.13 173.44 11.31 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.511 0.672 . . . . 0.0 111.083 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 25.6 mmm-85 -70.5 -8.64 52.79 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.073 179.14 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -95.81 5.57 51.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.987 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 73.49 36.77 0.76 Allowed 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.581 -0.282 . . . . 0.0 110.946 179.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 23.6 p -118.11 125.97 51.32 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.475 179.381 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -78.04 119.66 21.78 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.399 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 2.1 m-30 -111.67 122.91 49.07 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 121.632 0.73 . . . . 0.0 111.182 179.218 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -84.59 130.75 34.69 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 114.361 -1.29 . . . . 0.0 108.83 179.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -111.6 155.45 23.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 123.361 0.413 . . . . 0.0 110.295 -179.063 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.547 HD21 ' CB ' ' A' ' 72' ' ' GLU . 16.6 t30 -91.39 118.24 30.36 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.413 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.7 pttp -65.83 -20.8 66.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.978 179.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.547 ' CB ' HD21 ' A' ' 70' ' ' ASN . 9.0 mm-40 . . . . . 0 C--N 1.323 -0.557 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 65.2 tttm . . . . . 0 C--O 1.239 0.511 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.708 ' O ' HG23 ' A' ' 83' ' ' VAL . 81.0 mm-40 -80.97 -28.81 35.48 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.331 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.511 HG21 ' N ' ' A' ' 17' ' ' TRP . 52.8 t -57.13 -50.7 75.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 C-N-CA 120.21 -0.596 . . . . 0.0 109.441 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 70.6 m80 -64.37 -41.31 96.78 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 120.255 -0.578 . . . . 0.0 110.586 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.7 mmmt -73.25 -26.85 61.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.087 0.47 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.708 HG23 ' O ' ' A' ' 79' ' ' GLU . 63.4 t -82.69 126.87 40.07 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 CA-C-O 121.523 0.678 . . . . 0.0 111.871 -179.391 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.511 ' O ' ' NE2' ' A' ' 28' ' ' GLN . 6.3 ptpp? -105.24 126.21 51.84 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.634 178.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.786 HG13 ' CD1' ' A' ' 24' ' ' LEU . 11.3 t -95.63 120.87 45.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 -178.741 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.4 ' OH ' ' OD2' ' A' ' 34' ' ' ASP . 9.3 p90 -79.35 147.19 32.5 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.416 -179.556 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 4.7 m -125.43 132.49 70.95 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 CA-C-O 121.085 0.469 . . . . 0.0 110.554 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 52.0 p90 . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 117.92 -1.038 . . . . 0.0 110.502 -179.851 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 70.6 m . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.856 0.36 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.3 mp -131.44 133.04 62.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.572 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.0 t -124.29 176.96 6.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.413 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.7 mpt_? -115.76 133.92 55.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.021 0.439 . . . . 0.0 110.956 -179.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.428 ' HB3' HG13 ' A' ' 80' ' ' VAL . . . -65.67 154.19 39.58 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.67 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.457 ' C ' HG11 ' A' ' 80' ' ' VAL . 71.6 mmtt -98.38 -38.46 9.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.279 -178.784 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.494 ' N ' HG11 ' A' ' 80' ' ' VAL . 87.2 tttt -151.63 154.06 35.66 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.682 -179.57 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.682 ' N ' HG21 ' A' ' 80' ' ' VAL . 57.4 t90 -49.49 132.8 20.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.826 -179.77 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.09 158.37 32.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.873 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -51.22 -36.49 41.84 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.325 -178.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -69.22 -42.68 75.41 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.825 0.345 . . . . 0.0 110.987 179.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.489 ' N ' HD13 ' A' ' 21' ' ' ILE . 4.4 mm -70.42 -57.31 8.29 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.367 0 CA-C-N 116.24 -0.436 . . . . 0.0 109.946 -178.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -47.06 -46.61 22.51 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.225 -177.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.69 -50.03 75.37 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.246 0.546 . . . . 0.0 110.975 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.799 ' CD1' HG13 ' A' ' 85' ' ' VAL . 77.2 mt -57.59 -41.97 82.22 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 119.719 -0.792 . . . . 0.0 110.538 -178.648 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -59.8 -49.48 77.56 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 120.386 -0.526 . . . . 0.0 111.565 178.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.52 ' NH2' ' O ' ' A' ' 70' ' ' ASN . 93.9 mtt180 -62.82 -47.46 83.31 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.648 -0.421 . . . . 0.0 111.227 -178.746 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -65.91 -47.56 74.37 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.403 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -56.6 -41.81 77.65 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.175 -179.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -62.35 -38.78 90.84 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.271 178.179 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.89 -15.73 63.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.615 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 104.56 1.34 43.46 Favored Glycine 0 CA--C 1.528 0.851 0 N-CA-C 111.436 -0.666 . . . . 0.0 111.436 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.641 ' CE1' HG21 ' A' ' 41' ' ' VAL . 28.3 m-85 -102.23 145.58 29.22 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-O 121.157 0.503 . . . . 0.0 110.662 -179.495 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.42 -35.48 60.97 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.698 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.592 ' OD2' HD12 ' A' ' 36' ' ' ILE . 41.7 p-10 -164.59 174.75 10.5 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.427 179.699 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -53.56 -27.53 26.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.396 -179.124 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.592 HD12 ' OD2' ' A' ' 34' ' ' ASP . 92.1 mt -59.53 -48.54 86.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 C-N-CA 120.481 -0.488 . . . . 0.0 110.986 -179.507 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 50.6 tp10 -66.38 -40.26 89.59 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.847 0.356 . . . . 0.0 110.524 -179.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -59.41 -46.97 87.21 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.226 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.548 ' O ' ' N ' ' A' ' 43' ' ' GLN . 97.9 mttt -61.15 -39.09 88.77 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.725 -179.281 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.414 ' O ' ' NE2' ' A' ' 43' ' ' GLN . 91.3 mt-30 -64.09 -42.58 96.86 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.655 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.641 HG21 ' CE1' ' A' ' 32' ' ' TYR . 78.1 t -62.64 -44.32 99.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.303 -179.475 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -95.43 -1.3 51.21 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.36 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.548 ' N ' ' O ' ' A' ' 39' ' ' LYS . 93.6 mm-40 44.46 55.71 5.52 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.354 -0.539 . . . . 0.0 110.718 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.442 HG22 ' HA ' ' A' ' 39' ' ' LYS . 32.6 m -109.4 -168.53 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.3 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -120.48 -24.13 5.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.034 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -154.45 163.31 40.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.61 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 60.9 t -104.08 135.27 42.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.297 -0.411 . . . . 0.0 109.998 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -71.48 131.47 43.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.95 0.405 . . . . 0.0 110.671 -179.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.414 ' NE ' ' O ' ' A' ' 54' ' ' GLY . 22.3 mtp180 -142.28 170.15 16.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.484 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.49 ' CD1' ' HB3' ' A' ' 71' ' ' LYS . 88.0 m95 -97.92 143.86 26.99 Favored Pre-proline 0 C--O 1.22 -0.49 0 C-N-CA 120.183 -0.607 . . . . 0.0 111.972 -179.728 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -66.73 -21.19 51.82 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 121.942 1.762 . . . . 0.0 112.194 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -58.4 -54.37 47.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.263 -178.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.446 ' OG1' ' CD2' ' A' ' 55' ' ' TYR . 61.0 p -126.29 -21.23 4.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.793 179.79 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 50' ' ' TRP . . . 84.74 23.98 47.74 Favored Glycine 0 N--CA 1.463 0.476 0 C-N-CA 120.468 -0.872 . . . . 0.0 111.541 -179.665 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.446 ' CD2' ' OG1' ' A' ' 53' ' ' THR . 21.8 m-85 -90.83 160.54 15.69 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 120.209 -0.596 . . . . 0.0 110.678 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.436 HG11 HD13 ' A' ' 59' ' ' LEU . 62.0 t -56.59 123.26 7.29 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 CA-C-N 115.087 -0.96 . . . . 0.0 110.385 -178.537 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.417 ' CD ' ' CZ2' ' A' ' 50' ' ' TRP . 23.2 ttpp -73.28 -50.97 19.31 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.593 179.588 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -144.77 149.24 35.17 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.028 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.477 HD12 ' HA ' ' A' ' 59' ' ' LEU . 7.0 tp -146.76 137.45 23.88 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.333 -0.547 . . . . 0.0 110.187 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -88.86 131.1 35.25 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.497 -179.621 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.2 mtm180 -79.02 177.99 8.37 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.423 0.63 . . . . 0.0 111.267 -179.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.0 mmt180 -71.51 -11.35 60.82 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.268 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -93.9 10.44 33.29 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.102 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 60.8 m-20 65.66 34.89 7.33 Favored 'General case' 0 N--CA 1.465 0.311 0 O-C-N 123.569 0.543 . . . . 0.0 111.101 -179.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 33.9 p -118.98 130.65 55.8 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.697 179.046 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -74.66 125.2 28.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.476 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -115.35 121.33 42.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.163 -179.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -82.5 134.11 35.2 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.269 -0.423 . . . . 0.0 109.999 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -110.22 154.55 23.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.076 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.52 ' O ' ' NH2' ' A' ' 26' ' ' ARG . 61.8 t30 -80.26 117.52 21.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.539 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.49 ' HB3' ' CD1' ' A' ' 50' ' ' TRP . 1.5 pptp? -70.78 -10.78 60.24 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.467 179.74 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.404 ' HB3' HD21 ' A' ' 70' ' ' ASN . 2.7 tt0 . . . . . 0 CA--C 1.498 -1.042 0 C-N-CA 119.513 -0.875 . . . . 0.0 112.826 -178.188 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 64.8 pttt . . . . . 0 C--O 1.234 0.239 0 CA-C-O 121.132 0.492 . . . . 0.0 110.59 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.757 ' O ' HG23 ' A' ' 83' ' ' VAL . 4.8 tt0 -83.59 -33.61 25.33 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.062 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.682 HG21 ' N ' ' A' ' 17' ' ' TRP . 43.9 t -57.29 -50.08 77.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 C-N-CA 120.038 -0.665 . . . . 0.0 109.646 179.465 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -61.79 -44.2 97.35 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 120.327 -0.549 . . . . 0.0 110.747 179.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -71.93 -27.95 63.14 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.962 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.757 HG23 ' O ' ' A' ' 79' ' ' GLU . 55.2 t -77.49 138.44 20.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.136 -179.769 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.2 ptmt -113.01 141.47 46.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.817 179.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.799 HG13 ' CD1' ' A' ' 24' ' ' LEU . 39.5 t -108.09 125.53 64.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.465 -179.298 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.539 ' CD1' ' O ' ' A' ' 86' ' ' TYR . 0.7 OUTLIER -89.48 139.64 30.32 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.597 -179.731 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 5.0 m -128.0 128.13 68.63 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 CA-C-O 121.221 0.534 . . . . 0.0 110.799 179.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 24.0 p90 . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.44 179.87 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.275 0 N-CA-C 109.479 -1.448 . . . . 0.0 109.479 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 15.6 t 46.96 -132.85 1.17 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.836 0.351 . . . . 0.0 110.578 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 63.7 t-80 -148.83 140.31 23.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.604 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -57.95 175.62 0.19 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.619 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 79.0 mtm -78.31 140.97 38.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.524 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.69 141.79 57.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.442 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 72.9 p -106.15 -21.74 13.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.622 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 85.0 p -90.21 -19.27 24.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.705 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -121.85 131.96 54.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.602 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 90.8 t -117.23 121.82 68.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.348 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -74.62 153.84 87.48 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.859 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -64.49 140.11 67.73 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.655 2.236 . . . . 0.0 112.202 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.0 tptp -80.2 -44.58 19.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.808 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.469 ' C ' HD12 ' A' ' 11' ' ' ILE . 72.9 m -160.62 175.74 12.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.58 -179.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.662 ' N ' HD12 ' A' ' 11' ' ' ILE . 4.5 mp -124.33 127.13 72.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.417 179.605 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.2 m -118.85 176.19 5.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.51 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.411 ' CD ' ' N ' ' A' ' 13' ' ' ARG . 1.4 mpt_? -110.0 128.3 55.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.597 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.503 ' HB2' HD12 ' A' ' 21' ' ' ILE . . . -61.48 142.18 57.2 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.21 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -96.36 -42.5 8.1 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-O 120.96 0.409 . . . . 0.0 110.702 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.544 ' HG3' ' N ' ' A' ' 17' ' ' TRP . 0.0 OUTLIER -132.85 -171.55 2.7 Favored 'General case' 0 C--O 1.221 -0.445 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.673 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.654 ' CD2' ' NH1' ' A' ' 73' ' ' ARG . 60.6 t90 -97.05 123.9 40.91 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.763 178.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 21' ' ' ILE . 37.9 t -154.51 154.16 32.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.521 179.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 -42.97 -30.64 0.43 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.407 -179.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -68.88 -41.37 78.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.713 179.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.503 HD12 ' HB2' ' A' ' 14' ' ' ALA . 20.1 mm -77.18 -62.28 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.24 -179.469 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.548 ' OE1' ' CE1' ' A' ' 55' ' ' TYR . 39.5 tt0 -43.45 -46.88 6.95 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 -179.05 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -60.48 -50.8 72.12 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.905 179.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.658 ' CD1' HG13 ' A' ' 85' ' ' VAL . 39.4 mt -54.89 -39.18 68.46 Favored 'General case' 0 C--O 1.215 -0.723 0 C-N-CA 121.036 -0.266 . . . . 0.0 110.733 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.405 ' CD2' ' SG ' ' A' ' 75' ' ' CYS . 28.1 t80 -59.07 -49.56 77.4 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.706 0.289 . . . . 0.0 110.492 178.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 92.6 mtt180 -61.05 -49.86 75.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.804 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.406 ' CE1' HG21 ' A' ' 56' ' ' VAL . 33.3 m-85 -63.99 -49.86 70.81 Favored 'General case' 0 CA--C 1.523 -0.065 0 CA-C-O 120.903 0.383 . . . . 0.0 110.891 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -53.65 -42.1 67.48 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.304 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.422 ' O ' ' NH2' ' A' ' 61' ' ' ARG . 62.2 mm-40 -59.67 -41.24 90.19 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.845 179.205 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.69 -16.41 64.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.407 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 104.68 7.79 38.56 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.486 -0.646 . . . . 0.0 111.486 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.713 ' CE1' HG21 ' A' ' 41' ' ' VAL . 24.6 m-85 -105.3 146.44 29.34 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 120.993 0.425 . . . . 0.0 110.662 179.519 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.79 -35.43 33.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.378 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 51.5 p-10 -161.81 169.8 20.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.536 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.606 ' CD ' ' H ' ' A' ' 35' ' ' GLU . 10.8 mp0 -48.23 -34.52 10.35 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.322 -179.084 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 48.4 mm -55.01 -49.33 72.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.104 -178.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.405 ' O ' HG23 ' A' ' 41' ' ' VAL . 46.8 tp10 -63.91 -39.05 93.28 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.959 0.409 . . . . 0.0 110.83 179.583 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.627 ' CD1' HD11 ' A' ' 59' ' ' LEU . 31.7 t80 -62.47 -47.41 84.13 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.497 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.548 ' O ' ' N ' ' A' ' 43' ' ' GLN . 98.6 mttt -59.05 -40.97 86.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.105 -178.317 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -61.77 -40.13 94.09 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.859 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.713 HG21 ' CE1' ' A' ' 32' ' ' TYR . 77.4 t -61.24 -45.03 99.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.955 -179.254 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.569 ' O ' HG13 ' A' ' 44' ' ' VAL . 9.3 mmtm -99.63 4.09 45.53 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.94 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.548 ' N ' ' O ' ' A' ' 39' ' ' LYS . 21.3 mp0 46.06 55.41 7.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.945 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.569 HG13 ' O ' ' A' ' 42' ' ' LYS . 29.8 m -126.02 -172.64 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.597 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -135.33 -34.49 0.85 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.9 mmt -104.99 133.9 48.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.122 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.7 t -107.51 137.13 40.21 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.082 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -62.73 119.59 9.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.958 0.409 . . . . 0.0 110.779 -179.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 93.8 mtt-85 -140.7 158.57 43.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.672 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.473 ' O ' ' HA2' ' A' ' 54' ' ' GLY . 77.5 m95 -94.91 141.06 22.78 Favored Pre-proline 0 N--CA 1.45 -0.429 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.787 179.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.22 -31.48 44.36 Favored 'Trans proline' 0 C--N 1.303 -1.862 0 C-N-CA 122.691 2.261 . . . . 0.0 112.226 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -50.43 -52.33 38.68 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.811 -178.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.523 ' OG1' ' CD2' ' A' ' 55' ' ' TYR . 31.3 p -126.62 -33.78 2.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.218 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.473 ' HA2' ' O ' ' A' ' 50' ' ' TRP . . . 100.53 20.79 14.04 Favored Glycine 0 CA--C 1.519 0.308 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.336 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.548 ' CE1' ' OE1' ' A' ' 22' ' ' GLU . 31.4 m-85 -80.58 157.56 26.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.576 0.227 . . . . 0.0 110.578 179.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.562 HG11 HD23 ' A' ' 59' ' ' LEU . 40.2 t -67.63 127.98 30.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.864 0.364 . . . . 0.0 110.568 -179.126 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 50.9 tttm -72.29 -44.39 62.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.539 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -156.38 153.17 28.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.569 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.627 HD11 ' CD1' ' A' ' 38' ' ' TYR . 0.1 OUTLIER -146.87 131.14 17.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.951 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.605 ' N ' HD13 ' A' ' 59' ' ' LEU . 11.4 tt0 -78.87 130.01 35.19 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.122 179.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.422 ' NH2' ' O ' ' A' ' 29' ' ' GLN . 46.9 mtp180 -78.88 174.76 11.17 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.031 -178.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 11.3 ttm180 -67.48 -16.84 64.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 123.836 0.71 . . . . 0.0 110.504 179.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -87.06 2.79 48.54 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.592 -178.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 73.59 37.37 0.7 Allowed 'General case' 0 N--CA 1.451 -0.408 0 CA-C-O 120.67 0.272 . . . . 0.0 110.984 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 44.8 p -123.98 133.11 53.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.609 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -77.74 123.38 26.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.504 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -114.83 121.07 42.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.437 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -81.85 135.31 35.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.373 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -110.94 152.42 26.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.758 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.545 HD21 ' CB ' ' A' ' 72' ' ' GLU . 14.5 t30 -94.82 110.27 22.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.81 179.749 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.41 ' HG3' ' HZ2' ' A' ' 71' ' ' LYS . 6.9 pttp -60.29 -26.19 66.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.188 0.518 . . . . 0.0 110.632 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.831 ' O ' ' O ' ' A' ' 73' ' ' ARG . 13.1 mm-40 -73.88 65.05 1.02 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.492 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.831 ' O ' ' O ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER 34.81 124.3 0.0 OUTLIER 'General case' 0 N--CA 1.441 -0.901 0 CA-C-O 121.066 0.46 . . . . 0.0 110.334 -179.437 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.421 ' O ' ' OE1' ' A' ' 76' ' ' GLU . 37.0 tt0 -124.12 -24.11 4.43 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.206 178.577 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.536 ' O ' ' CZ ' ' A' ' 73' ' ' ARG . 34.2 m -80.51 131.14 35.51 Favored 'General case' 0 C--O 1.212 -0.902 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.393 -179.6 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.421 ' OE1' ' O ' ' A' ' 74' ' ' GLU . 36.6 mp0 -113.57 166.0 11.95 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.634 179.585 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -48.31 -34.64 10.85 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.031 -179.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -63.76 -29.46 70.67 Favored 'General case' 0 C--O 1.242 0.685 0 CA-C-O 121.699 0.761 . . . . 0.0 110.371 179.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.753 ' O ' HG23 ' A' ' 83' ' ' VAL . 0.9 OUTLIER -82.63 -32.14 28.44 Favored 'General case' 0 C--O 1.222 -0.371 0 O-C-N 121.858 -0.526 . . . . 0.0 110.501 179.574 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 54.6 t -54.29 -49.37 64.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 179.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 73.2 m80 -68.0 -40.65 82.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.922 0.391 . . . . 0.0 110.68 -179.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.83 -22.95 58.41 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.149 179.575 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 79' ' ' GLU . 71.7 t -88.34 136.15 23.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.02 0.438 . . . . 0.0 111.349 -178.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 30.6 mtmm -101.11 164.83 11.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.345 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.658 HG13 ' CD1' ' A' ' 24' ' ' LEU . 15.2 t -125.5 127.99 72.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.942 0.401 . . . . 0.0 110.122 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -91.24 137.66 32.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.701 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.43 HG22 ' O ' ' A' ' 10' ' ' SER . 4.3 m -122.2 134.42 65.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.712 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 48.6 p90 . . . . . 0 C--O 1.221 -0.415 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.551 179.803 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.251 0 N-CA-C 109.572 -1.411 . . . . 0.0 109.572 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 42.6 t -139.09 125.06 19.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.748 0.308 . . . . 0.0 110.602 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 44.7 m80 -128.42 119.82 25.71 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.798 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 44.4 mtt -140.26 132.72 28.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.581 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.6 mmm -85.8 135.21 33.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.474 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.44 140.9 58.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.599 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.422 ' C ' ' N ' ' A' ' 5' ' ' ASP . 70.7 p -76.5 -70.84 0.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.57 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 47.6 m 48.95 15.83 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.413 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.422 ' N ' ' C ' ' A' ' 3' ' ' THR . 97.3 m-20 -72.88 150.23 42.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.639 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 86.4 t -98.77 118.6 45.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.276 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -117.48 149.28 44.52 Favored Pre-proline 0 CA--C 1.531 0.22 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.59 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -66.09 149.04 86.03 Favored 'Trans proline' 0 C--N 1.308 -1.576 0 C-N-CA 122.737 2.291 . . . . 0.0 112.319 179.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.447 ' O ' ' OG ' ' A' ' 10' ' ' SER . 7.6 mtmp? -97.54 -29.04 13.68 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.639 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.447 ' OG ' ' O ' ' A' ' 9' ' ' LYS . 74.9 m -169.69 177.82 4.36 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.543 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.7 mp -137.44 134.09 46.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.677 179.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.3 t -120.38 177.21 5.12 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.505 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -114.33 131.26 56.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.093 0.473 . . . . 0.0 110.536 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.553 ' HB3' HG13 ' A' ' 80' ' ' VAL . . . -64.79 153.12 40.88 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.73 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.535 ' C ' HG11 ' A' ' 80' ' ' VAL . 3.9 mptt -95.44 -40.33 9.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.299 -179.424 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -146.22 149.29 33.63 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.676 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.712 ' N ' HG21 ' A' ' 80' ' ' VAL . 53.3 t90 -53.73 139.2 33.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.992 -179.257 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.1 t -165.22 160.76 18.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.294 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -46.77 -33.31 4.28 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.539 -179.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.467 ' O ' HD23 ' A' ' 24' ' ' LEU . 81.2 mm-40 -67.33 -45.89 75.07 Favored 'General case' 0 C--O 1.219 -0.545 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.67 179.45 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.577 ' N ' HD13 ' A' ' 21' ' ' ILE . 3.2 mm -66.44 -56.91 12.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 -178.633 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.461 ' CD ' ' N ' ' A' ' 23' ' ' ASN . 1.8 tm-20 -39.33 -47.86 1.79 Allowed 'General case' 0 CA--C 1.513 -0.456 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.941 -179.395 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.493 HD22 HD22 ' A' ' 24' ' ' LEU . 1.0 OUTLIER -59.86 -50.11 75.09 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.328 0.585 . . . . 0.0 111.084 -179.878 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.667 HD12 HE21 ' A' ' 28' ' ' GLN . 3.8 mm? -53.99 -48.75 70.07 Favored 'General case' 0 C--O 1.213 -0.828 0 C-N-CA 120.474 -0.49 . . . . 0.0 110.86 -178.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -59.24 -48.89 79.93 Favored 'General case' 0 C--N 1.317 -0.845 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.306 179.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.522 ' NH2' ' O ' ' A' ' 70' ' ' ASN . 88.7 mtt180 -60.57 -48.38 82.05 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.644 -0.422 . . . . 0.0 111.146 -179.117 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.403 ' CE1' ' OD1' ' A' ' 23' ' ' ASN . 38.8 m-85 -66.91 -44.36 80.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.018 0.437 . . . . 0.0 110.426 179.586 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.667 HE21 HD12 ' A' ' 24' ' ' LEU . 60.9 mt-30 -55.85 -41.35 74.19 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.582 179.72 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -64.1 -37.76 88.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.203 178.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.671 ' HB2' HD13 ' A' ' 59' ' ' LEU . . . -66.93 -16.79 64.56 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.429 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 102.83 8.72 41.83 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.662 ' CE1' HG21 ' A' ' 41' ' ' VAL . 27.8 m-85 -109.68 146.94 33.99 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-O 121.009 0.433 . . . . 0.0 110.869 -179.718 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.407 ' H ' ' HD2' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -75.28 -35.67 61.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.245 179.608 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.536 ' CG ' ' N ' ' A' ' 35' ' ' GLU . 5.3 t70 -163.29 171.12 16.61 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.385 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.536 ' N ' ' CG ' ' A' ' 34' ' ' ASP . 8.7 pt-20 -50.63 -28.48 8.9 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.554 -179.633 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 83.6 mt -59.01 -48.98 84.88 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 C-N-CA 120.713 -0.395 . . . . 0.0 111.14 -179.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -66.45 -39.38 88.84 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.664 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.464 ' CD1' HD21 ' A' ' 59' ' ' LEU . 36.2 t80 -59.47 -47.57 84.98 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.389 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.463 ' O ' ' N ' ' A' ' 43' ' ' GLN . 44.2 mtmt -60.56 -40.01 90.08 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.97 -179.607 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -62.92 -41.66 99.54 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.862 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.662 HG21 ' CE1' ' A' ' 32' ' ' TYR . 78.7 t -63.7 -44.62 98.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.106 -179.561 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.518 ' O ' HG13 ' A' ' 44' ' ' VAL . 25.2 mmtp -91.57 -1.13 57.6 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.782 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 39' ' ' LYS . 97.9 mt-30 50.6 48.63 22.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.77 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.518 HG13 ' O ' ' A' ' 42' ' ' LYS . 28.2 m -127.59 -174.24 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.399 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -141.42 23.44 2.15 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.778 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 4.4 mtp -158.58 139.82 13.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.816 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.0 t -111.94 135.26 51.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -67.29 118.58 10.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.476 -179.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 31.3 mtt180 -137.04 166.08 24.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.573 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.509 ' O ' ' N ' ' A' ' 54' ' ' GLY . 71.8 m95 -95.85 140.61 22.38 Favored Pre-proline 0 C--O 1.218 -0.553 0 C-N-CA 120.288 -0.565 . . . . 0.0 111.101 -179.569 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -65.71 -30.52 50.44 Favored 'Trans proline' 0 C--N 1.302 -1.914 0 C-N-CA 122.446 2.098 . . . . 0.0 112.697 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.492 ' OE1' ' CE ' ' A' ' 71' ' ' LYS . 96.3 mt-10 -52.59 -49.68 64.56 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.681 -178.221 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.514 ' OG1' ' CD2' ' A' ' 55' ' ' TYR . 71.3 p -125.2 -31.04 3.11 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.961 -0.296 . . . . 0.0 111.036 179.557 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 50' ' ' TRP . . . 94.95 18.87 32.89 Favored Glycine 0 N--CA 1.464 0.534 0 C-N-CA 120.669 -0.776 . . . . 0.0 111.335 -179.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.514 ' CD2' ' OG1' ' A' ' 53' ' ' THR . 25.0 m-85 -81.4 158.36 24.66 Favored 'General case' 0 CA--C 1.515 -0.373 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.981 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.515 ' O ' ' NH1' ' A' ' 26' ' ' ARG . 87.2 t -61.59 122.48 12.32 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.681 -178.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 44.5 tttm -72.96 -45.38 58.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.556 179.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -151.79 153.04 33.5 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.596 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.671 HD13 ' HB2' ' A' ' 30' ' ' ALA . 0.4 OUTLIER -146.07 138.04 25.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.779 179.577 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.611 ' H ' HD23 ' A' ' 59' ' ' LEU . 22.1 tt0 -85.21 132.64 34.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.952 0.406 . . . . 0.0 110.494 179.52 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.1 mmm180 -76.42 166.32 23.58 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.789 -179.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 10.1 mtt-85 -66.26 -7.1 16.39 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.235 179.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.438 ' O ' ' CB ' ' A' ' 64' ' ' ASN . 98.0 m-20 -101.87 8.35 41.27 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.17 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.438 ' CB ' ' O ' ' A' ' 63' ' ' ASP . 2.1 m-20 79.76 -2.95 2.06 Favored 'General case' 0 C--O 1.233 0.228 0 O-C-N 123.284 0.365 . . . . 0.0 110.679 179.506 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 24.3 p -80.86 126.68 31.64 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.57 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -71.97 131.14 42.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.528 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -119.93 116.64 26.2 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.01 0.433 . . . . 0.0 110.259 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -82.42 139.34 34.07 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.485 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -114.22 150.95 33.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.982 179.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.522 ' O ' ' NH2' ' A' ' 26' ' ' ARG . 5.0 p-10 -98.17 124.2 42.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.596 179.595 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.492 ' CE ' ' OE1' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -64.3 -17.36 63.58 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.379 0.609 . . . . 0.0 110.627 179.423 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 73' ' ' ARG . 94.2 mt-10 -81.84 57.71 3.55 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -34.28 130.98 0.33 Allowed 'General case' 0 N--CA 1.456 -0.125 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.305 -179.371 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -130.89 39.46 3.59 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 121.469 0.652 . . . . 0.0 109.758 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 6.1 t -88.97 146.34 24.95 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.238 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -130.26 174.02 10.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.575 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -50.81 -23.61 2.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.299 -179.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.9 mmmt -63.25 -38.05 89.66 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.678 179.107 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 83' ' ' VAL . 5.5 mm-40 -80.41 -30.94 37.72 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.968 -0.293 . . . . 0.0 110.478 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.712 HG21 ' N ' ' A' ' 17' ' ' TRP . 55.5 t -58.35 -41.83 82.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 179.203 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 77.9 m80 -69.34 -40.99 77.21 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.436 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 30.9 mttm -76.21 -27.6 56.9 Favored 'General case' 0 CA--C 1.528 0.127 0 CA-C-O 120.863 0.363 . . . . 0.0 110.798 179.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.476 ' N ' ' O ' ' A' ' 79' ' ' GLU . 73.8 t -88.45 135.61 25.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.786 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.475 ' O ' ' NE2' ' A' ' 28' ' ' GLN . 14.0 mttp -113.08 157.55 21.45 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.295 -179.692 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 60.4 t -119.17 122.51 69.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.43 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.585 ' CD1' ' O ' ' A' ' 86' ' ' TYR . 0.2 OUTLIER -78.83 148.56 32.8 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.675 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.0 m -128.62 125.82 64.19 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.461 179.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 22.0 p90 . . . . . 0 C--O 1.221 -0.412 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.605 179.783 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . 0.535 ' O ' ' ND1' ' A' ' -1' ' ' HIS . . . . . . . . 0 N--CA 1.49 2.261 0 N-CA-C 109.479 -1.448 . . . . 0.0 109.479 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 70.56 2.31 4.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.802 0.334 . . . . 0.0 110.555 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . 0.535 ' ND1' ' O ' ' A' ' -3' ' ' GLY . 79.8 m80 -102.68 9.26 39.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.501 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -171.99 100.85 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.526 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.1 mmm -125.67 143.81 50.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.505 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.34 148.24 51.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.57 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 62.8 p -130.55 163.56 26.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.479 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 98.5 p -137.98 153.13 49.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.37 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -150.17 110.8 4.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.648 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 88.9 t -79.2 121.41 32.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.652 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.446 ' N ' ' CD ' ' A' ' 7' ' ' LYS . 3.8 mptp? -79.55 154.18 76.25 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.733 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -65.45 157.81 56.16 Favored 'Trans proline' 0 C--N 1.307 -1.627 0 C-N-CA 122.605 2.203 . . . . 0.0 112.228 179.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.76 -39.76 9.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.083 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 55.6 m -160.48 167.37 27.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.632 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.6 mp -131.57 133.58 61.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.414 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.6 t -123.91 178.77 5.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.547 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -116.7 131.14 57.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.603 179.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.459 ' HB2' HD12 ' A' ' 21' ' ' ILE . . . -64.57 150.22 47.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.724 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt -92.63 -39.85 11.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.383 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.0 tttp -135.06 -172.14 2.98 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.736 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.492 ' CD1' ' SG ' ' A' ' 75' ' ' CYS . 63.2 t90 -96.37 124.52 40.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.704 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.479 ' O ' ' N ' ' A' ' 21' ' ' ILE . 52.8 m -148.78 152.6 36.82 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.677 179.488 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -42.74 -26.33 0.12 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.969 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.419 ' N ' ' C ' ' A' ' 18' ' ' SER . 98.1 mt-10 -69.86 -40.89 75.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.472 179.317 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.479 ' N ' ' O ' ' A' ' 18' ' ' SER . 6.8 mm -71.85 -59.26 3.59 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.37 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.067 -179.57 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.536 ' OE1' ' N ' ' A' ' 23' ' ' ASN . 3.1 tm-20 -45.1 -47.18 12.06 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.199 -178.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.536 ' N ' ' OE1' ' A' ' 22' ' ' GLU . 1.0 OUTLIER -60.0 -51.36 69.98 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.284 -179.702 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.801 ' CD1' HG13 ' A' ' 85' ' ' VAL . 75.9 mt -56.87 -40.04 75.45 Favored 'General case' 0 CA--C 1.51 -0.566 0 C-N-CA 120.332 -0.547 . . . . 0.0 110.488 -178.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -60.98 -49.11 78.78 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.561 178.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.407 ' NH2' ' O ' ' A' ' 70' ' ' ASN . 93.5 mtt180 -60.95 -47.51 86.12 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.955 -179.281 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -65.43 -47.18 77.09 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.486 179.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -55.7 -40.42 72.36 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.819 -179.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -60.8 -40.0 91.03 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.866 0.365 . . . . 0.0 110.024 178.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.86 -17.32 64.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.347 179.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 104.25 6.68 41.71 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.653 ' CE1' HG21 ' A' ' 41' ' ' VAL . 28.6 m-85 -104.91 146.18 29.38 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 120.89 0.376 . . . . 0.0 111.135 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.8 -35.24 57.76 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.453 179.555 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -164.79 172.15 13.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.535 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -49.98 -31.34 12.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.627 -178.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 88.7 mt -56.97 -49.55 78.89 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 C-N-CA 120.548 -0.461 . . . . 0.0 111.007 -178.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -64.84 -39.84 94.21 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.994 0.426 . . . . 0.0 110.444 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.587 ' CD1' HD11 ' A' ' 59' ' ' LEU . 34.4 t80 -59.93 -45.88 91.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.084 179.58 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.567 ' O ' ' N ' ' A' ' 43' ' ' GLN . 60.4 mttp -58.72 -39.72 81.64 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.031 -179.162 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.536 ' O ' ' NE2' ' A' ' 43' ' ' GLN . 62.9 tt0 -60.88 -43.21 98.75 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.55 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.653 HG21 ' CE1' ' A' ' 32' ' ' TYR . 79.7 t -62.1 -43.71 98.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.121 -179.371 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.57 ' O ' HG13 ' A' ' 44' ' ' VAL . 31.7 mmtp -95.15 -0.63 53.14 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.763 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.567 ' N ' ' O ' ' A' ' 39' ' ' LYS . 83.0 mm-40 48.33 52.08 14.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.943 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.57 HG13 ' O ' ' A' ' 42' ' ' LYS . 31.5 m -127.38 -175.17 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.532 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -137.21 26.6 2.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.957 -179.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 19.5 ptm -162.45 152.23 16.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.773 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 15.9 t -125.07 134.52 66.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.012 179.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -60.05 129.23 40.76 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.672 -179.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -144.61 157.28 44.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.992 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.4 ' HE1' ' HA ' ' A' ' 57' ' ' LYS . 69.8 m95 -95.81 141.45 23.19 Favored Pre-proline 0 C--O 1.22 -0.475 0 C-N-CA 120.046 -0.662 . . . . 0.0 111.24 -179.786 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -65.83 -27.84 51.37 Favored 'Trans proline' 0 C--N 1.302 -1.872 0 C-N-CA 122.37 2.047 . . . . 0.0 112.557 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -53.46 -52.94 57.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.705 -178.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.481 ' OG1' ' CD2' ' A' ' 55' ' ' TYR . 30.3 p -127.2 -31.99 2.52 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.526 -0.307 . . . . 0.0 110.974 179.721 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 99.84 21.28 14.38 Favored Glycine 0 N--CA 1.464 0.541 0 C-N-CA 120.578 -0.82 . . . . 0.0 111.279 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.481 ' CD2' ' OG1' ' A' ' 53' ' ' THR . 28.6 m-85 -81.17 155.21 26.3 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.552 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 94.2 t -61.69 127.29 21.25 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.157 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.495 -179.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.4 ' HA ' ' HE1' ' A' ' 50' ' ' TRP . 50.5 tttm -73.65 -47.16 42.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.872 179.607 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -154.38 151.64 29.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.709 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.607 HD13 ' N ' ' A' ' 60' ' ' GLN . 0.1 OUTLIER -147.28 130.46 16.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.82 179.387 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.607 ' N ' HD13 ' A' ' 59' ' ' LEU . 33.5 tt0 -78.34 135.07 37.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.003 0.43 . . . . 0.0 110.671 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -76.82 171.68 14.34 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.959 -179.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.4 -6.66 31.48 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.249 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -100.15 10.64 40.94 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.087 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 69.81 37.98 1.72 Allowed 'General case' 0 N--CA 1.455 -0.184 0 CA-C-O 120.587 0.232 . . . . 0.0 111.135 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 35.8 p -120.64 128.78 53.32 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.395 179.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -75.46 124.09 26.56 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.798 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -118.15 123.98 46.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.3 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -92.94 132.7 36.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.485 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -105.33 155.67 18.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.913 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.407 ' O ' ' NH2' ' A' ' 26' ' ' ARG . 2.7 p30 -97.05 126.91 42.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.349 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.6 pttt -69.07 -21.51 64.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.376 0.608 . . . . 0.0 110.668 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 73' ' ' ARG . 97.9 mt-10 -75.59 56.86 0.92 Allowed 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.158 -179.564 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.495 ' HE ' ' HB2' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -35.7 133.77 0.38 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.05 -179.497 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -139.74 40.67 2.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.115 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.494 ' SG ' ' N ' ' A' ' 76' ' ' GLU . 0.0 OUTLIER -88.32 152.11 22.16 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.084 179.529 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.494 ' N ' ' SG ' ' A' ' 75' ' ' CYS . 97.9 mt-10 -133.09 174.34 10.47 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.621 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.435 ' OD2' ' NE2' ' A' ' 81' ' ' HIS . 30.2 t70 -46.04 -22.68 0.23 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.37 -179.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.33 -36.82 85.21 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.019 178.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.718 ' O ' HG23 ' A' ' 83' ' ' VAL . 8.3 mm-40 -80.56 -35.86 33.8 Favored 'General case' 0 C--O 1.218 -0.557 0 CA-C-O 121.204 0.526 . . . . 0.0 110.742 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 89.7 t -59.26 -42.23 86.46 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 C-N-CA 120.145 -0.622 . . . . 0.0 110.3 -179.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.435 ' NE2' ' OD2' ' A' ' 77' ' ' ASP . 77.7 m-70 -70.37 -42.34 71.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.971 -0.558 . . . . 0.0 112.409 -178.472 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.82 -19.15 52.78 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.33 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.718 HG23 ' O ' ' A' ' 79' ' ' GLU . 59.7 t -83.97 135.68 24.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.112 179.565 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 58.2 pttt -107.55 156.43 19.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.223 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.801 HG13 ' CD1' ' A' ' 24' ' ' LEU . 20.7 t -125.97 125.09 67.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.88 0.371 . . . . 0.0 110.147 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.574 ' CD1' ' O ' ' A' ' 86' ' ' TYR . 0.3 OUTLIER -90.27 145.58 24.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.774 -179.812 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.2 m -129.37 124.74 60.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.975 0.417 . . . . 0.0 110.759 179.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 51.8 p90 . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.951 -1.023 . . . . 0.0 110.417 179.828 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.39 0 N-CA-C 109.427 -1.469 . . . . 0.0 109.427 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 42.3 t -122.72 94.67 4.35 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.888 0.375 . . . . 0.0 110.546 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 60.3 t-80 -60.94 -45.17 95.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.54 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 1.2 ttt -160.15 97.56 1.26 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.545 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.2 tpt -124.43 125.94 45.1 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.388 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -73.12 152.26 41.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.675 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 65.03 21.51 12.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.697 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.03 -41.44 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.49 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -84.31 110.49 18.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.545 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 86.8 t -105.48 128.26 59.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.342 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.6 pttp -99.75 150.59 36.95 Favored Pre-proline 0 N--CA 1.451 -0.381 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.745 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -67.89 162.65 38.77 Favored 'Trans proline' 0 C--N 1.307 -1.607 0 C-N-CA 122.881 2.387 . . . . 0.0 112.449 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.6 mmtp -102.59 -35.39 8.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.48 -179.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 74.7 m -157.73 163.43 38.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.679 179.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.4 mp -129.06 133.89 65.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.734 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.2 t -125.39 178.25 5.72 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.528 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.3 mmt180 -117.63 133.05 56.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.64 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.521 ' HB2' HD12 ' A' ' 21' ' ' ILE . . . -67.09 148.79 51.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.656 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.3 mtpp -117.93 14.26 14.15 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.504 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.631 ' N ' HG11 ' A' ' 80' ' ' VAL . 20.3 ttmt -169.53 165.76 10.27 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.761 179.19 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 59.3 t90 -95.66 123.45 39.22 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.838 0.351 . . . . 0.0 111.341 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.8 m -154.18 155.62 35.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.65 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -44.12 -28.04 0.45 Allowed 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -69.75 -45.62 67.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.939 0.4 . . . . 0.0 110.719 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.521 HD12 ' HB2' ' A' ' 14' ' ' ALA . 21.3 mm -74.38 -61.91 1.52 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.275 0 C-N-CA 120.496 -0.481 . . . . 0.0 109.967 -179.072 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.501 ' CD ' ' NE ' ' A' ' 73' ' ' ARG . 31.6 tp10 -44.59 -47.54 10.34 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-O 120.926 0.393 . . . . 0.0 110.178 -178.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.71 -49.64 74.55 Favored 'General case' 0 C--N 1.317 -0.806 0 C-N-CA 120.412 -0.515 . . . . 0.0 110.691 -179.585 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.664 ' CD1' HG13 ' A' ' 85' ' ' VAL . 47.3 mt -54.58 -39.56 67.91 Favored 'General case' 0 C--O 1.212 -0.885 0 C-N-CA 120.561 -0.455 . . . . 0.0 110.564 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 78.1 t80 -61.31 -47.76 84.44 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 120.716 0.293 . . . . 0.0 110.394 178.13 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.495 ' O ' ' HG3' ' A' ' 29' ' ' GLN . 66.6 mtt180 -60.58 -48.5 81.5 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-O 121.238 0.542 . . . . 0.0 110.46 -179.026 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.504 ' CD2' HD21 ' A' ' 59' ' ' LEU . 40.4 m-85 -67.74 -45.19 75.72 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.187 0.518 . . . . 0.0 110.714 179.472 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -57.61 -46.38 84.16 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.405 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.495 ' HG3' ' O ' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -65.22 -20.6 66.51 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.836 0.35 . . . . 0.0 110.74 -179.837 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.66 -12.58 53.62 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.104 -179.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 101.67 0.81 52.77 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.421 -0.672 . . . . 0.0 111.421 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.509 ' CD2' ' OE2' ' A' ' 37' ' ' GLU . 23.9 m-85 -103.49 147.26 27.37 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 120.971 0.415 . . . . 0.0 110.326 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.44 -37.84 42.71 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.937 179.115 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.59 ' OD2' HD12 ' A' ' 36' ' ' ILE . 26.3 p-10 -163.3 171.45 16.12 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.5 179.449 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -48.15 -29.91 4.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.515 -179.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.59 HD12 ' OD2' ' A' ' 34' ' ' ASP . 93.6 mt -56.45 -50.08 74.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 C-N-CA 120.627 -0.429 . . . . 0.0 111.095 -178.38 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.509 ' OE2' ' CD2' ' A' ' 32' ' ' TYR . 10.6 tt0 -65.03 -39.09 92.85 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.99 0.424 . . . . 0.0 110.639 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -60.51 -45.21 94.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.886 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.555 ' O ' ' N ' ' A' ' 43' ' ' GLN . 2.9 mtpm? -61.52 -39.81 92.36 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.08 -179.341 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.475 HE21 HG22 ' A' ' 36' ' ' ILE . 76.4 mt-30 -60.52 -46.28 90.72 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.743 -0.383 . . . . 0.0 111.188 -179.274 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 51.5 t -64.25 -41.26 91.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.436 179.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.562 ' O ' HG13 ' A' ' 44' ' ' VAL . 19.4 mmtp -89.27 -5.09 57.87 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.102 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.555 ' N ' ' O ' ' A' ' 39' ' ' LYS . 66.6 mt-30 50.26 48.29 22.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.774 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.562 HG13 ' O ' ' A' ' 42' ' ' LYS . 28.6 m -128.92 -173.92 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.51 -179.699 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -139.46 18.81 2.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.728 -179.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.92 151.98 24.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.647 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 17.1 t -124.5 135.53 63.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.09 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -66.76 131.23 45.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.746 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 55.0 mtt180 -140.97 167.13 22.92 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.568 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.455 ' O ' ' N ' ' A' ' 54' ' ' GLY . 70.2 m95 -96.95 139.69 21.69 Favored Pre-proline 0 C--O 1.219 -0.501 0 C-N-CA 120.373 -0.531 . . . . 0.0 111.133 -179.655 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -65.06 -28.37 57.23 Favored 'Trans proline' 0 C--N 1.302 -1.904 0 C-N-CA 122.68 2.254 . . . . 0.0 112.393 -179.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -51.22 -52.92 40.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.746 -178.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.539 ' OG1' ' CD2' ' A' ' 55' ' ' TYR . 33.7 p -126.9 -28.64 2.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.842 0.353 . . . . 0.0 110.883 179.425 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 50' ' ' TRP . . . 94.61 23.49 21.06 Favored Glycine 0 N--CA 1.462 0.383 0 C-N-CA 120.666 -0.778 . . . . 0.0 111.326 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.539 ' CD2' ' OG1' ' A' ' 53' ' ' THR . 24.9 m-85 -80.58 161.55 24.7 Favored 'General case' 0 CA--C 1.516 -0.353 0 C-N-CA 121.061 -0.256 . . . . 0.0 110.836 179.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.434 HG11 HD13 ' A' ' 59' ' ' LEU . 89.5 t -60.38 124.62 15.08 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.231 -179.343 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 47.4 tttm -77.95 -48.93 15.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.134 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 58.4 pttt -142.72 144.87 32.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.244 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.504 HD21 ' CD2' ' A' ' 27' ' ' PHE . 6.1 tp -146.87 122.23 10.29 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.097 0.475 . . . . 0.0 110.667 179.461 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -80.54 134.07 35.89 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.362 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.7 mtm180 -74.84 169.57 17.65 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.746 -178.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 -69.39 -5.99 27.16 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.29 178.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -100.19 11.49 39.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.784 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 39.7 m-20 66.13 36.69 5.49 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 123.476 0.485 . . . . 0.0 111.126 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 20.0 p -117.06 126.44 52.86 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.242 178.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -70.03 122.1 18.72 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.633 -179.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -123.53 113.14 18.33 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.024 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -82.94 137.81 34.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.769 -179.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.461 ' OH ' ' CG ' ' A' ' 29' ' ' GLN . 45.6 m-85 -106.03 153.82 21.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.382 179.337 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -97.11 137.31 36.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.797 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.7 pttm -78.67 -26.5 45.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.312 0.577 . . . . 0.0 110.524 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.453 ' O ' ' C ' ' A' ' 73' ' ' ARG . 78.4 mm-40 -72.54 52.85 0.29 Allowed 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 179.34 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.501 ' NE ' ' CD ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -30.31 128.72 0.12 Allowed 'General case' 0 C--N 1.333 -0.144 0 O-C-N 123.742 0.651 . . . . 0.0 111.712 -179.672 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -126.34 37.13 4.38 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 33.9 t -86.18 142.22 28.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.524 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -128.08 173.22 10.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.497 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -50.34 -23.44 2.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.28 -179.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -62.35 -36.25 81.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.954 0.407 . . . . 0.0 110.815 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.62 ' O ' HG23 ' A' ' 83' ' ' VAL . 6.9 mt-10 -82.99 -31.83 27.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.955 0.407 . . . . 0.0 110.442 179.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.631 HG11 ' N ' ' A' ' 16' ' ' LYS . 58.6 t -56.27 -47.68 80.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 C-N-CA 120.433 -0.507 . . . . 0.0 110.234 -179.562 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 60.4 t-80 -71.11 -41.55 70.41 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.045 -179.122 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.91 -25.29 63.61 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.992 179.719 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 79' ' ' GLU . 77.2 t -86.15 137.28 21.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.644 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 46.8 pttt -106.82 159.3 16.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.315 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.664 HG13 ' CD1' ' A' ' 24' ' ' LEU . 2.6 t -125.3 112.82 32.71 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.345 179.432 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.439 ' OH ' ' OD2' ' A' ' 34' ' ' ASP . 3.2 p90 -82.02 141.74 32.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.362 -179.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.7 m -127.58 122.85 60.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 121.136 0.493 . . . . 0.0 110.728 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 46.9 p90 . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.936 -1.03 . . . . 0.0 110.47 179.836 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.395 0 N-CA-C 109.424 -1.47 . . . . 0.0 109.424 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 75.4 m -60.99 -39.93 91.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.87 0.367 . . . . 0.0 110.456 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 61.8 t-80 -88.53 114.98 25.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.522 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -156.34 51.16 0.52 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.678 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.9 ptm -152.5 148.81 27.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.733 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -77.1 139.91 40.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.527 179.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 66.9 p -105.44 -12.09 16.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.538 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 73.1 m -75.78 149.02 38.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.702 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 36.1 t0 -99.81 176.02 5.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.543 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 84.4 t -104.85 119.43 53.82 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.382 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 58.8 pttt -89.53 149.88 43.28 Favored Pre-proline 0 N--CA 1.451 -0.396 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.862 -179.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -67.67 158.53 56.78 Favored 'Trans proline' 0 N--CA 1.494 1.519 0 C-N-CA 122.719 2.279 . . . . 0.0 112.333 179.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.9 mmmt -92.7 -42.31 9.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.806 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 70.0 m -157.24 163.89 38.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.664 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.5 mp -129.0 131.12 68.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.591 179.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 44.0 t -119.08 176.17 5.43 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.446 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -111.33 129.83 55.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.709 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.52 144.72 53.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.414 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.579 ' C ' HG11 ' A' ' 80' ' ' VAL . 6.4 mptt -99.85 -41.68 7.14 Favored 'General case' 0 CA--C 1.523 -0.094 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.846 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.1 tttp -132.27 -173.7 3.23 Favored 'General case' 0 C--O 1.227 -0.107 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.011 179.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.654 ' CE2' ' NE ' ' A' ' 73' ' ' ARG . 35.1 t90 -98.25 130.38 44.96 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.899 179.733 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.403 ' O ' ' N ' ' A' ' 21' ' ' ILE . 83.5 p -160.74 159.57 30.29 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.286 178.73 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -43.07 -31.45 0.55 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.537 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -69.26 -43.6 73.61 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.837 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.403 ' N ' ' O ' ' A' ' 18' ' ' SER . 11.8 mm -77.49 -61.43 1.71 Allowed 'Isoleucine or valine' 0 CA--C 1.519 -0.227 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.274 -179.538 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.435 ' HB2' ' NE1' ' A' ' 17' ' ' TRP . 88.3 tt0 -43.75 -46.33 7.58 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-O 121.279 0.561 . . . . 0.0 109.943 -178.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -59.75 -49.36 78.03 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.67 179.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.784 ' CD1' HG13 ' A' ' 85' ' ' VAL . 23.9 mt -55.16 -39.19 69.23 Favored 'General case' 0 C--O 1.219 -0.545 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.178 -179.336 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -60.17 -48.2 82.72 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.402 178.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.528 ' NH2' ' O ' ' A' ' 70' ' ' ASN . 94.1 mtt180 -60.82 -49.45 77.44 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.547 -179.125 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.482 ' CD2' HD21 ' A' ' 59' ' ' LEU . 30.7 m-85 -64.62 -47.43 78.58 Favored 'General case' 0 N--CA 1.462 0.173 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.728 179.629 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.427 ' NE2' ' O ' ' A' ' 84' ' ' LYS . 62.7 mt-30 -54.6 -42.48 71.17 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 -179.544 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -60.6 -38.73 85.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.36 178.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.22 -19.07 64.72 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.3 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.474 ' O ' ' CZ ' ' A' ' 62' ' ' ARG . . . 105.84 8.88 33.69 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 111.316 -0.714 . . . . 0.0 111.316 -179.592 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.704 ' CE1' HG21 ' A' ' 41' ' ' VAL . 23.5 m-85 -110.8 146.8 35.76 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 121.086 0.47 . . . . 0.0 110.819 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.69 -34.65 45.99 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.496 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.426 ' OD2' ' N ' ' A' ' 35' ' ' GLU . 17.7 t70 -165.46 175.13 9.3 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.669 -179.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.526 ' OE2' ' NH2' ' A' ' 49' ' ' ARG . 98.0 mt-10 -48.99 -36.83 18.54 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.167 -178.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 18.7 mm -49.32 -59.22 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.121 -179.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 48.4 tp10 -60.54 -39.27 87.28 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.823 0.344 . . . . 0.0 110.74 -178.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -59.87 -46.02 90.65 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.231 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.52 ' O ' ' N ' ' A' ' 43' ' ' GLN . 62.9 mttm -60.11 -41.11 91.87 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.651 -0.25 . . . . 0.0 110.933 -179.215 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 -60.44 -43.68 96.56 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.793 0.33 . . . . 0.0 110.595 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.704 HG21 ' CE1' ' A' ' 32' ' ' TYR . 70.2 t -61.54 -43.96 97.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.949 -179.494 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.682 ' O ' HG13 ' A' ' 44' ' ' VAL . 28.5 mmtp -93.75 1.0 56.63 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.809 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.52 ' N ' ' O ' ' A' ' 39' ' ' LYS . 95.7 mt-30 46.9 50.42 13.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.77 179.69 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.682 HG13 ' O ' ' A' ' 42' ' ' LYS . 26.7 m -129.74 -173.0 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.568 -179.614 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.516 ' C ' ' NZ ' ' A' ' 39' ' ' LYS . . . -143.76 30.14 1.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.738 -179.675 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.8 mtt -161.94 127.4 3.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 43.6 t -105.21 130.42 56.44 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -60.42 127.68 32.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.965 0.412 . . . . 0.0 110.624 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.526 ' NH2' ' OE2' ' A' ' 35' ' ' GLU . 74.3 mtt180 -144.08 159.29 42.87 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.075 -179.619 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.492 ' O ' ' N ' ' A' ' 54' ' ' GLY . 70.6 m95 -91.04 138.26 26.1 Favored Pre-proline 0 CA--C 1.535 0.384 0 C-N-CA 119.982 -0.687 . . . . 0.0 111.136 -179.621 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -63.8 -32.78 66.84 Favored 'Trans proline' 0 C--N 1.303 -1.855 0 C-N-CA 122.492 2.128 . . . . 0.0 112.923 -178.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.676 ' CD ' ' HZ3' ' A' ' 71' ' ' LYS . 47.0 mt-10 -52.33 -48.19 65.59 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.824 -178.532 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -126.09 -37.93 2.21 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.75 0.309 . . . . 0.0 111.111 179.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 50' ' ' TRP . . . 101.26 18.1 20.33 Favored Glycine 0 CA--C 1.521 0.463 0 C-N-CA 120.611 -0.804 . . . . 0.0 111.202 -179.333 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -77.44 163.18 26.6 Favored 'General case' 0 CA--C 1.519 -0.238 0 O-C-N 122.437 -0.449 . . . . 0.0 110.509 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.438 HG11 HD13 ' A' ' 59' ' ' LEU . 63.9 t -67.33 122.29 18.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 O-C-N 123.414 0.446 . . . . 0.0 111.025 -178.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -73.69 -51.04 17.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.724 179.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 62.4 pttt -145.62 150.15 35.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.234 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.482 HD21 ' CD2' ' A' ' 27' ' ' PHE . 5.4 tp -147.41 141.18 25.7 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 121.125 0.488 . . . . 0.0 110.705 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -93.22 134.07 35.79 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.774 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.432 ' HE ' ' HB2' ' A' ' 67' ' ' PHE . 22.4 mtt180 -76.87 170.3 16.73 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.26 0.552 . . . . 0.0 110.96 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.474 ' CZ ' ' O ' ' A' ' 31' ' ' GLY . 4.5 tpp180 -68.03 -9.33 44.99 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.262 179.398 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.42 ' O ' ' CB ' ' A' ' 64' ' ' ASN . 94.4 m-20 -97.92 7.28 46.61 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.107 -179.609 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.42 ' CB ' ' O ' ' A' ' 63' ' ' ASP . 1.9 m-20 79.03 -6.81 1.85 Allowed 'General case' 0 CA--C 1.52 -0.177 0 O-C-N 123.258 0.349 . . . . 0.0 110.392 179.481 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 18.2 p -75.22 125.39 28.86 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -74.98 128.98 36.85 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.598 -179.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.432 ' HB2' ' HE ' ' A' ' 61' ' ' ARG . 33.4 t80 -124.54 116.27 22.19 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 120.961 0.41 . . . . 0.0 109.972 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -81.34 143.34 32.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.399 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -117.55 153.35 33.36 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.732 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.528 ' O ' ' NH2' ' A' ' 26' ' ' ARG . 0.3 OUTLIER -96.66 126.63 41.97 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.029 -179.876 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.676 ' HZ3' ' CD ' ' A' ' 52' ' ' GLU . 13.4 pttt -58.0 -24.66 59.11 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.41 0.624 . . . . 0.0 110.688 -179.544 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.52 ' CB ' ' OD1' ' A' ' 70' ' ' ASN . 2.4 tt0 -73.3 154.29 40.2 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.827 -178.472 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.654 ' NE ' ' CE2' ' A' ' 17' ' ' TRP . 0.0 OUTLIER -56.17 130.85 45.99 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.056 179.495 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -127.89 -25.54 3.05 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.381 178.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.603 ' O ' ' NH1' ' A' ' 73' ' ' ARG . 36.2 m -80.77 132.02 35.48 Favored 'General case' 0 C--O 1.218 -0.579 0 CA-C-O 120.901 0.381 . . . . 0.0 111.209 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -112.48 165.48 12.19 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -48.34 -33.48 9.03 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-O 121.147 0.499 . . . . 0.0 109.948 -179.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.17 -28.79 69.91 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.612 179.212 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.691 ' O ' HG23 ' A' ' 83' ' ' VAL . 74.5 mt-10 -81.79 -30.08 32.43 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 109.946 -0.391 . . . . 0.0 109.946 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.579 HG11 ' C ' ' A' ' 15' ' ' LYS . 63.8 t -56.79 -47.5 82.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 179.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -64.89 -42.94 94.37 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.741 179.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 33.5 mtmt -74.84 -24.81 58.66 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.231 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.691 HG23 ' O ' ' A' ' 79' ' ' GLU . 68.3 t -83.88 130.75 35.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.322 0.582 . . . . 0.0 111.56 -179.446 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.427 ' O ' ' NE2' ' A' ' 28' ' ' GLN . 22.6 pttm -109.4 142.76 39.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.109 179.58 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.784 HG13 ' CD1' ' A' ' 24' ' ' LEU . 2.6 t -107.75 124.31 63.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.914 0.387 . . . . 0.0 110.774 -178.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.568 ' CD1' ' O ' ' A' ' 86' ' ' TYR . 0.3 OUTLIER -89.77 146.8 24.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.845 179.807 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 4.2 m -128.45 128.54 68.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.989 0.423 . . . . 0.0 110.406 179.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 44.8 p90 . . . . . 0 C--O 1.218 -0.582 0 CA-C-O 118.065 -0.969 . . . . 0.0 110.555 179.869 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.299 0 N-CA-C 109.577 -1.409 . . . . 0.0 109.577 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 12.0 t 50.37 -162.48 0.06 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.801 0.334 . . . . 0.0 110.575 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . 0.417 ' O ' ' ND1' ' A' ' -1' ' ' HIS . 52.5 t-80 47.66 42.06 14.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.492 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . 0.459 ' O ' ' CG ' ' A' ' 0' ' ' MET . 0.0 OUTLIER -138.13 52.54 1.84 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.685 -179.888 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.2 mmt -69.96 139.79 52.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.46 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -70.61 123.55 22.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.581 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 98.5 m -61.82 -48.2 81.67 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.449 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 35.9 t -163.66 123.72 2.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.398 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 58.3 p30 -158.21 -178.89 7.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.535 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 67.5 t -109.77 119.71 59.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.375 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -99.09 149.15 35.5 Favored Pre-proline 0 CA--C 1.532 0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.36 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -67.84 150.96 78.89 Favored 'Trans proline' 0 C--N 1.308 -1.601 0 C-N-CA 122.786 2.324 . . . . 0.0 112.428 179.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -97.0 -40.38 8.9 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.857 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 49.2 m -162.39 169.71 20.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.858 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.8 mp -129.63 128.88 66.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.504 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 67.8 m -118.88 175.93 5.52 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.387 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? -117.15 132.63 56.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.637 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.436 ' O ' HG12 ' A' ' 80' ' ' VAL . . . -69.62 151.97 45.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.963 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.637 ' C ' HG11 ' A' ' 80' ' ' VAL . 34.8 mmtm -96.07 -39.75 9.58 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.554 -179.635 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.1 tptm -131.39 -174.88 3.52 Favored 'General case' 0 C--N 1.334 -0.086 0 CA-C-O 121.079 0.466 . . . . 0.0 110.916 179.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.491 ' CE2' ' HG2' ' A' ' 73' ' ' ARG . 66.5 t90 -95.67 125.89 40.56 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.674 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.486 ' O ' ' N ' ' A' ' 21' ' ' ILE . 42.5 t -150.34 151.81 33.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.498 179.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -42.15 -27.16 0.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.252 -179.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 18' ' ' SER . 98.9 mt-10 -69.47 -40.5 77.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.749 179.374 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.486 ' N ' ' O ' ' A' ' 18' ' ' SER . 4.6 mm -72.76 -59.31 3.51 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.164 -179.004 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.537 ' OE2' ' NH1' ' A' ' 73' ' ' ARG . 32.0 tp10 -48.01 -48.6 32.71 Favored 'General case' 0 CA--C 1.512 -0.503 0 C-N-CA 120.489 -0.484 . . . . 0.0 110.104 -178.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -56.61 -52.06 66.28 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 120.488 -0.485 . . . . 0.0 111.079 -179.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.791 ' CD1' HG13 ' A' ' 85' ' ' VAL . 64.7 mt -55.65 -40.39 72.17 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.097 -179.04 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -60.95 -48.13 83.23 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.802 0.334 . . . . 0.0 110.152 178.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.742 HH21 ' NH2' ' A' ' 73' ' ' ARG . 87.2 mtt180 -61.95 -50.09 73.53 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.631 -0.427 . . . . 0.0 111.113 -179.265 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.412 ' CE1' HG21 ' A' ' 56' ' ' VAL . 33.4 m-85 -63.19 -47.77 81.18 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.3 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -55.89 -40.59 73.22 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.523 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 73.5 mm-40 -63.58 -38.41 91.04 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.475 177.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.673 ' HB2' HD13 ' A' ' 59' ' ' LEU . . . -68.87 -17.48 63.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.478 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.508 ' O ' ' NE ' ' A' ' 62' ' ' ARG . . . 104.97 7.99 37.36 Favored Glycine 0 CA--C 1.527 0.82 0 N-CA-C 111.255 -0.738 . . . . 0.0 111.255 -179.711 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.637 ' CE1' HG21 ' A' ' 41' ' ' VAL . 25.6 m-85 -111.98 147.05 36.74 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-O 120.936 0.398 . . . . 0.0 110.449 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -77.08 -34.31 56.99 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.847 179.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.455 ' OD2' ' OH ' ' A' ' 86' ' ' TYR . 51.7 p-10 -165.82 176.54 7.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.514 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -49.7 -37.49 29.21 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.502 -179.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 31.8 mm -52.8 -56.42 7.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.084 -179.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 52.4 tp10 -60.5 -39.98 89.69 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.006 0.432 . . . . 0.0 110.486 -179.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.484 ' CE2' HG22 ' A' ' 47' ' ' VAL . 43.4 t80 -60.99 -47.42 86.52 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.461 179.64 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.476 ' O ' ' N ' ' A' ' 43' ' ' GLN . 43.9 mttm -60.42 -41.14 93.33 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.12 -178.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -62.36 -42.6 99.53 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.636 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.637 HG21 ' CE1' ' A' ' 32' ' ' TYR . 75.8 t -62.56 -44.94 99.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.203 -179.372 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.683 ' O ' HG13 ' A' ' 44' ' ' VAL . 72.3 mmtt -94.8 4.2 54.1 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 -179.647 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.476 ' N ' ' O ' ' A' ' 39' ' ' LYS . 19.3 mp0 46.15 50.49 11.82 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.619 179.195 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.683 HG13 ' O ' ' A' ' 42' ' ' LYS . 26.7 m -127.6 -171.61 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.548 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.448 ' C ' ' NZ ' ' A' ' 39' ' ' LYS . . . -144.77 22.36 1.61 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.762 -179.591 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.47 ' O ' ' SD ' ' A' ' 46' ' ' MET . 0.0 OUTLIER -161.27 143.22 11.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.678 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.484 HG22 ' CE2' ' A' ' 38' ' ' TYR . 12.2 t -116.94 137.38 51.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.239 -179.722 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -69.06 120.62 15.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.319 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.492 ' CZ ' ' O ' ' A' ' 54' ' ' GLY . 22.2 mtm180 -136.52 165.87 24.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.544 -179.376 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.525 ' O ' ' N ' ' A' ' 54' ' ' GLY . 68.9 m95 -94.15 140.43 22.85 Favored Pre-proline 0 C--O 1.217 -0.637 0 C-N-CA 120.362 -0.535 . . . . 0.0 111.081 -179.457 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -65.78 -30.69 49.62 Favored 'Trans proline' 0 C--N 1.3 -1.976 0 C-N-CA 122.456 2.104 . . . . 0.0 112.61 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 52.3 mp0 -56.37 -50.55 71.23 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.153 -178.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.412 ' HB ' ' CE2' ' A' ' 55' ' ' TYR . 24.7 p -119.57 -31.06 4.68 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.706 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 50' ' ' TRP . . . 90.54 18.46 48.58 Favored Glycine 0 N--CA 1.465 0.586 0 C-N-CA 120.62 -0.8 . . . . 0.0 111.112 -179.587 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.419 ' HH ' ' HZ2' ' A' ' 17' ' ' TRP . 23.3 m-85 -83.75 159.67 21.42 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.81 0.338 . . . . 0.0 111.088 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.456 ' O ' ' NH1' ' A' ' 26' ' ' ARG . 87.4 t -59.19 124.26 13.08 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.604 -178.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.403 ' HA ' ' HE1' ' A' ' 50' ' ' TRP . 77.5 tttt -77.67 -48.76 16.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.768 179.623 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 62.3 pttt -141.2 146.19 36.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.024 -179.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.673 HD13 ' HB2' ' A' ' 30' ' ' ALA . 0.4 OUTLIER -145.41 137.82 25.82 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.955 179.325 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.47 ' H ' HD23 ' A' ' 59' ' ' LEU . 14.0 tt0 -90.07 131.63 35.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.883 0.373 . . . . 0.0 110.317 179.443 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.9 mmm180 -73.77 165.28 25.39 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 -179.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.508 ' NE ' ' O ' ' A' ' 31' ' ' GLY . 4.5 mtt-85 -65.91 -6.57 12.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.307 179.616 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.433 ' O ' ' CB ' ' A' ' 64' ' ' ASN . 95.8 m-20 -100.48 7.75 43.96 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.918 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.433 ' CB ' ' O ' ' A' ' 63' ' ' ASP . 3.5 m-20 79.76 -6.46 1.79 Allowed 'General case' 0 CA--C 1.522 -0.112 0 O-C-N 123.355 0.409 . . . . 0.0 110.567 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 25.2 p -76.2 125.67 29.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.375 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -70.86 129.13 38.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.707 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -122.17 112.84 18.69 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.337 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -82.63 141.87 32.17 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.482 179.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -114.28 151.02 33.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.312 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.481 ' OD1' ' CB ' ' A' ' 72' ' ' GLU . 0.3 OUTLIER -98.9 125.42 44.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.229 179.554 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 30.5 pttt -56.76 -17.86 10.58 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.171 0.51 . . . . 0.0 110.378 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.518 ' O ' ' NH2' ' A' ' 73' ' ' ARG . 1.5 mt-10 -77.65 143.0 38.53 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 -179.52 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.751 ' HA ' ' NE ' ' A' ' 73' ' ' ARG . 0.0 OUTLIER -116.0 116.86 28.67 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 179.162 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -112.72 32.32 5.73 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.564 178.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.463 ' H ' ' HG3' ' A' ' 73' ' ' ARG . 1.7 t -87.93 141.58 28.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.283 179.677 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -129.3 174.42 9.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.385 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -47.91 -24.07 0.93 Allowed 'General case' 0 C--O 1.236 0.366 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.307 -179.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 55.1 pttt -68.0 -30.78 70.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.493 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.756 ' O ' HG23 ' A' ' 83' ' ' VAL . 3.7 mm-40 -83.49 -34.91 25.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.84 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.637 HG11 ' C ' ' A' ' 15' ' ' LYS . 54.5 t -57.32 -44.15 83.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 78.8 m80 -71.01 -40.74 71.62 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.967 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.52 -27.88 63.51 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.866 0.365 . . . . 0.0 110.777 179.646 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.756 HG23 ' O ' ' A' ' 79' ' ' GLU . 77.8 t -79.05 134.81 27.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.284 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.27 143.3 35.72 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.593 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.791 HG13 ' CD1' ' A' ' 24' ' ' LEU . 16.4 t -115.05 115.48 49.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 120.867 0.365 . . . . 0.0 110.079 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.575 ' CD1' ' O ' ' A' ' 86' ' ' TYR . 0.2 OUTLIER -85.0 150.28 25.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.932 -179.675 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.533 ' O ' HG13 ' A' ' 87' ' ' VAL . 4.8 p -129.31 123.11 57.39 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.286 179.565 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 31.5 p90 . . . . . 0 C--O 1.218 -0.587 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.378 179.915 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.208 0 N-CA-C 109.469 -1.452 . . . . 0.0 109.469 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 82.7 p -67.08 -22.73 65.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.861 0.362 . . . . 0.0 110.573 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 34.1 p80 -89.98 170.65 10.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.57 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 3.1 tpt -148.46 9.66 0.83 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.444 179.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.1 ptp -147.75 155.77 42.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.583 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.35 142.34 58.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.69 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.9 m 51.53 69.47 0.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.569 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 87.1 p -64.06 -41.39 97.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.704 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -173.16 67.09 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.569 179.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 93.6 t -118.26 127.52 75.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.73 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -116.42 150.52 45.58 Favored Pre-proline 0 N--CA 1.45 -0.473 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.462 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -46.54 165.75 0.08 OUTLIER 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 123.094 2.53 . . . . 0.0 112.134 178.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.445 ' O ' ' OG ' ' A' ' 10' ' ' SER . 38.1 ttpt -82.83 -41.94 18.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.961 179.217 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.445 ' OG ' ' O ' ' A' ' 9' ' ' LYS . 69.5 m -170.53 174.21 5.19 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.611 -178.701 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.5 mp -131.47 130.75 62.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.694 179.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 64.3 m -123.02 178.67 4.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.631 -179.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.3 mtm105 -115.52 131.94 56.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.674 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.23 152.48 45.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.578 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? -95.23 -39.97 9.8 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.899 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.782 ' CD ' ' H ' ' A' ' 17' ' ' TRP . 0.1 OUTLIER -137.06 -171.09 2.86 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.886 -179.883 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.782 ' H ' ' CD ' ' A' ' 16' ' ' LYS . 48.6 t90 -96.59 133.21 41.37 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.466 -0.788 . . . . 0.0 112.1 179.701 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 21' ' ' ILE . 84.1 p -157.01 155.8 31.86 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.199 178.215 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.4 pt-20 -42.47 -27.96 0.19 Allowed 'General case' 0 C--O 1.237 0.399 0 CA-C-O 120.937 0.399 . . . . 0.0 110.254 -179.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.572 ' O ' HD23 ' A' ' 24' ' ' LEU . 88.3 tt0 -69.73 -43.76 71.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.47 179.495 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.491 ' O ' ' N ' ' A' ' 24' ' ' LEU . 15.6 mm -73.28 -61.19 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 C-N-CA 120.606 -0.438 . . . . 0.0 110.417 -178.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.545 ' OE1' ' CE1' ' A' ' 55' ' ' TYR . 85.4 tt0 -37.85 -46.24 0.92 Allowed 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 -179.108 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.433 HD22 HD22 ' A' ' 24' ' ' LEU . 2.0 t30 -62.25 -46.19 89.94 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.661 178.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.757 HD12 HE21 ' A' ' 28' ' ' GLN . 2.2 mm? -55.38 -46.33 76.52 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.823 -179.735 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -56.23 -49.71 73.35 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 121.004 -0.278 . . . . 0.0 110.624 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.558 ' NH2' ' O ' ' A' ' 70' ' ' ASN . 93.4 mtt180 -60.11 -46.58 89.14 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.203 -179.502 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -62.56 -49.18 76.29 Favored 'General case' 0 CA--C 1.528 0.124 0 CA-C-O 120.734 0.302 . . . . 0.0 110.537 179.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.757 HE21 HD12 ' A' ' 24' ' ' LEU . 74.3 mt-30 -55.96 -42.11 75.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.087 -179.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 89.8 mm-40 -63.35 -39.0 93.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.847 178.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 62' ' ' ARG . . . -73.84 -18.33 60.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.035 0.445 . . . . 0.0 110.625 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.575 ' HA3' ' HE ' ' A' ' 62' ' ' ARG . . . 103.32 5.65 45.85 Favored Glycine 0 CA--C 1.527 0.796 0 N-CA-C 111.311 -0.715 . . . . 0.0 111.311 -179.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -102.87 149.93 24.01 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 121.14 0.495 . . . . 0.0 110.501 179.192 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.428 ' CD ' ' H ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -86.34 -39.45 16.45 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.315 -179.816 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.488 ' CG ' ' N ' ' A' ' 35' ' ' GLU . 31.8 t70 -166.61 173.56 9.61 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.398 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.488 ' N ' ' CG ' ' A' ' 34' ' ' ASP . 4.5 mm-40 -42.79 -35.03 1.04 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.644 -179.235 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 88.8 mt -54.16 -49.06 64.8 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 C-N-CA 120.67 -0.412 . . . . 0.0 111.277 -177.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -68.22 -42.51 79.69 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 120.924 -0.311 . . . . 0.0 111.586 -179.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -59.22 -47.4 85.46 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.222 -179.084 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.481 ' O ' ' N ' ' A' ' 43' ' ' GLN . 58.4 mttp -61.35 -41.34 96.89 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.262 -179.188 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -63.25 -42.07 99.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.846 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.0 t -61.7 -45.97 97.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.399 -179.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.644 ' O ' HG13 ' A' ' 44' ' ' VAL . 32.7 mmtp -94.17 0.81 56.0 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.664 -179.651 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.481 ' N ' ' O ' ' A' ' 39' ' ' LYS . 77.3 mm-40 48.61 51.33 15.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.931 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.644 HG13 ' O ' ' A' ' 42' ' ' LYS . 32.7 m -129.67 -173.2 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.404 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -138.05 8.24 2.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.63 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -138.71 136.45 35.8 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.992 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 17.7 t -108.52 137.94 37.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.38 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -70.68 118.11 13.05 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.212 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.522 ' NE ' ' O ' ' A' ' 54' ' ' GLY . 33.1 mtp180 -140.62 164.5 30.0 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.544 -179.578 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.468 ' O ' ' HA2' ' A' ' 54' ' ' GLY . 80.2 m95 -92.18 143.55 27.68 Favored Pre-proline 0 C--O 1.219 -0.521 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.121 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -66.8 -34.22 31.61 Favored 'Trans proline' 0 C--N 1.303 -1.855 0 C-N-CA 122.566 2.178 . . . . 0.0 112.355 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -46.07 -48.12 17.04 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.648 -178.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.492 ' OG1' ' CD2' ' A' ' 55' ' ' TYR . 23.2 p -131.22 -34.45 1.42 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.23 179.544 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.522 ' O ' ' NE ' ' A' ' 49' ' ' ARG . . . 100.64 21.77 12.14 Favored Glycine 0 N--CA 1.463 0.483 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 -179.624 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.545 ' CE1' ' OE1' ' A' ' 22' ' ' GLU . 29.3 m-85 -79.88 158.28 26.75 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 120.635 0.255 . . . . 0.0 110.86 179.501 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.498 HG11 HD13 ' A' ' 59' ' ' LEU . 56.7 t -60.82 120.66 6.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.598 -179.102 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 45.4 tttm -74.79 -49.29 21.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.663 179.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 62.4 pttt -143.34 148.7 36.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.261 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.498 HD13 HG11 ' A' ' 56' ' ' VAL . 6.6 tp -146.87 130.82 17.18 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.796 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -81.25 133.49 35.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.601 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.445 HH11 ' HD2' ' A' ' 61' ' ' ARG . 3.6 mtm105 -75.6 168.07 20.7 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.493 -178.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.575 ' HE ' ' HA3' ' A' ' 31' ' ' GLY . 2.5 mtm180 -68.27 -6.71 25.31 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.545 179.18 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -100.42 11.2 39.98 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.65 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 14.9 m-20 69.33 36.95 2.16 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 120.638 0.256 . . . . 0.0 111.173 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 25.2 p -120.26 129.61 54.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.23 179.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -76.71 123.23 25.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.767 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -121.91 120.63 35.03 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.379 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -82.18 136.31 35.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.459 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -107.86 157.04 18.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.765 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.558 ' O ' ' NH2' ' A' ' 26' ' ' ARG . 2.4 p30 -90.81 127.58 36.4 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.537 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.25 -14.86 59.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.283 0.563 . . . . 0.0 110.49 179.614 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.522 ' O ' ' C ' ' A' ' 73' ' ' ARG . 99.5 mt-10 -83.13 69.56 9.9 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.021 -179.457 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.671 ' NE ' ' CE2' ' A' ' 17' ' ' TRP . 0.0 OUTLIER -31.05 122.46 0.22 Allowed 'General case' 0 N--CA 1.445 -0.701 0 O-C-N 123.783 0.677 . . . . 0.0 109.924 179.515 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -145.33 38.77 1.16 Allowed 'General case' 0 C--N 1.322 -0.61 0 O-C-N 121.883 -0.51 . . . . 0.0 110.211 176.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 1.2 m -89.15 154.85 19.82 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.773 0.321 . . . . 0.0 110.953 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -126.83 171.0 11.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.636 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.467 ' OD1' ' N ' ' A' ' 78' ' ' LYS . 55.7 p-10 -49.97 -19.56 0.74 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.527 -179.556 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.467 ' N ' ' OD1' ' A' ' 77' ' ' ASP . 38.8 ttpt -63.12 -39.65 95.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.658 179.525 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.529 ' O ' HG23 ' A' ' 83' ' ' VAL . 1.6 tp10 -81.12 -31.7 34.13 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-O 120.671 0.272 . . . . 0.0 110.399 -179.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 78.9 t -57.83 -45.44 87.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.895 0.378 . . . . 0.0 110.0 -179.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 74.5 m80 -70.16 -40.28 74.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.949 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.02 -27.29 64.55 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 79' ' ' GLU . 72.2 t -87.88 134.99 26.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.985 -179.482 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.553 ' O ' ' NE2' ' A' ' 28' ' ' GLN . 38.6 pttt -115.03 131.78 56.81 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.345 179.58 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 38.4 t -98.52 123.71 51.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.023 0.439 . . . . 0.0 110.329 -179.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.542 ' CD1' ' O ' ' A' ' 86' ' ' TYR . 0.2 OUTLIER -83.74 153.62 24.05 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.713 179.542 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.0 m -126.64 126.97 69.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.626 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 43.7 p90 . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 118.003 -0.999 . . . . 0.0 110.424 179.863 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.273 0 N-CA-C 109.61 -1.396 . . . . 0.0 109.61 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 48.3 t -60.75 -45.0 96.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.595 0.236 . . . . 0.0 110.607 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -135.45 106.28 6.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.504 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 1.9 ttt -175.86 117.26 0.14 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.484 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 75.4 mtm -104.68 127.94 52.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.5 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -71.39 146.18 48.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.622 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 72.3 p -79.59 -11.13 59.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.588 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 72.6 p -106.02 62.6 0.66 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.806 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.449 ' OD1' ' O ' ' A' ' 5' ' ' ASP . 53.8 p-10 -124.65 83.84 2.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.62 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 85.1 t -98.71 119.3 46.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.696 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 60.0 pttt -75.57 149.24 83.6 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.792 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.551 ' HB3' ' CD1' ' A' ' 86' ' ' TYR . 43.3 Cg_endo -68.89 162.75 40.21 Favored 'Trans proline' 0 C--N 1.308 -1.562 0 C-N-CA 122.725 2.283 . . . . 0.0 112.675 179.123 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -81.88 -50.03 9.65 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.7 m -155.17 164.71 38.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.408 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.447 HD13 ' HA ' ' A' ' 86' ' ' TYR . 40.5 mm -121.62 129.88 75.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.101 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.7 m -123.3 173.87 7.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.549 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.477 ' CZ ' ' O ' ' A' ' 81' ' ' HIS . 30.5 mmm-85 -113.45 128.78 56.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.536 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.415 ' CB ' HG13 ' A' ' 80' ' ' VAL . . . -59.29 151.81 22.43 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.674 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.508 ' C ' HG11 ' A' ' 80' ' ' VAL . 29.1 mmtp -99.45 -41.9 7.19 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.997 -179.32 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -146.35 148.34 32.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.335 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.757 ' N ' HG21 ' A' ' 80' ' ' VAL . 65.4 t90 -56.39 137.17 53.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.151 -179.228 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 60.1 p -167.36 164.72 15.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.511 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -45.35 -35.29 3.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.513 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.403 ' O ' HD23 ' A' ' 24' ' ' LEU . 52.8 tp10 -65.39 -48.18 73.76 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.576 179.385 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.489 ' N ' HD13 ' A' ' 21' ' ' ILE . 4.3 mm -67.7 -57.82 8.25 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.487 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 -178.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 21' ' ' ILE . 2.1 tm-20 -37.73 -46.3 0.88 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 123.579 0.549 . . . . 0.0 110.023 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.59 HD22 HD22 ' A' ' 24' ' ' LEU . 1.7 t30 -62.95 -47.71 82.02 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.191 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.631 HD12 HE21 ' A' ' 28' ' ' GLN . 3.1 mm? -54.74 -47.07 74.28 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.677 -178.688 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -58.98 -49.6 77.28 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.784 -0.367 . . . . 0.0 110.533 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.693 ' HE ' ' NH1' ' A' ' 73' ' ' ARG . 91.3 mtt180 -59.24 -47.64 84.61 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.335 -0.546 . . . . 0.0 110.623 -179.304 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.539 ' CE1' ' OD1' ' A' ' 23' ' ' ASN . 7.0 m-85 -63.12 -48.09 79.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.949 0.404 . . . . 0.0 110.376 -179.624 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.631 HE21 HD12 ' A' ' 24' ' ' LEU . 72.1 mt-30 -55.88 -43.31 77.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.064 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 94.0 mm-40 -63.13 -39.63 95.25 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.613 178.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.78 -20.13 61.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.868 0.366 . . . . 0.0 110.461 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 107.46 2.22 35.22 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.385 -0.686 . . . . 0.0 111.385 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.554 ' CE1' HG21 ' A' ' 41' ' ' VAL . 9.1 m-85 -104.23 150.14 24.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.962 0.41 . . . . 0.0 109.993 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.93 -35.5 20.45 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.71 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.447 ' CG ' ' H ' ' A' ' 35' ' ' GLU . 37.4 t0 -174.22 -176.08 1.09 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.682 -179.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.447 ' H ' ' CG ' ' A' ' 34' ' ' ASP . 15.7 pt-20 -43.08 -42.04 3.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.859 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 46.3 mm -48.97 -63.61 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 C-N-CA 120.731 -0.388 . . . . 0.0 111.217 -178.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.534 ' O ' HG23 ' A' ' 41' ' ' VAL . 51.3 tp10 -63.79 -42.17 97.78 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.377 -179.173 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.486 ' CE2' HD11 ' A' ' 59' ' ' LEU . 1.5 t80 -58.8 -51.09 71.49 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 119.76 -0.776 . . . . 0.0 110.965 -177.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.602 ' O ' ' N ' ' A' ' 43' ' ' GLN . 97.7 mttt -61.57 -40.66 95.53 Favored 'General case' 0 C--O 1.22 -0.456 0 C-N-CA 120.679 -0.408 . . . . 0.0 111.276 -178.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -62.83 -41.7 99.43 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.368 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.554 HG21 ' CE1' ' A' ' 32' ' ' TYR . 72.8 t -60.6 -46.51 95.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 C-N-CA 120.747 -0.381 . . . . 0.0 111.452 -178.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -99.99 0.06 40.3 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.802 -179.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.602 ' N ' ' O ' ' A' ' 39' ' ' LYS . 73.8 mt-30 47.53 53.45 11.07 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.577 -179.702 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 16.8 m -117.81 -169.53 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.683 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -137.77 -34.87 0.66 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.99 -179.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 26.8 ptt? -110.84 148.41 32.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.486 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 48.0 t -113.15 135.85 51.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.333 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -72.61 117.99 14.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.22 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.507 ' HE ' ' N ' ' A' ' 56' ' ' VAL . 29.2 mtp180 -139.14 170.21 16.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.496 -179.638 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.435 ' O ' ' N ' ' A' ' 54' ' ' GLY . 65.3 m95 -97.11 141.85 23.65 Favored Pre-proline 0 C--O 1.221 -0.417 0 C-N-CA 120.125 -0.63 . . . . 0.0 111.068 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -65.48 -29.75 52.99 Favored 'Trans proline' 0 C--N 1.306 -1.691 0 C-N-CA 122.423 2.082 . . . . 0.0 112.785 -179.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 32.9 mp0 -51.99 -50.52 61.15 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.589 -178.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.442 ' OG1' ' CD2' ' A' ' 55' ' ' TYR . 45.0 p -126.47 -35.36 2.37 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.97 -0.292 . . . . 0.0 111.113 179.678 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.505 ' O ' ' CZ ' ' A' ' 49' ' ' ARG . . . 99.66 25.34 9.29 Favored Glycine 0 N--CA 1.463 0.456 0 C-N-CA 120.596 -0.811 . . . . 0.0 111.268 -179.671 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.442 ' CD2' ' OG1' ' A' ' 53' ' ' THR . 28.9 m-85 -86.51 154.8 20.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.727 0.299 . . . . 0.0 110.635 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.572 HG11 HD13 ' A' ' 59' ' ' LEU . 41.1 t -56.94 124.09 9.85 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.227 -178.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -75.18 -51.83 12.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.996 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 63.0 pttt -141.85 148.19 38.4 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.383 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.572 HD13 HG11 ' A' ' 56' ' ' VAL . 5.9 tp -147.63 134.92 20.6 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.564 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -85.47 136.13 33.56 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.429 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.429 ' HE ' ' HB2' ' A' ' 67' ' ' PHE . 22.3 mtt180 -78.55 168.35 19.91 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.215 -179.346 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.448 ' NH2' ' OE2' ' A' ' 37' ' ' GLU . 5.4 mmt180 -68.92 -7.11 31.85 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.178 179.634 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -98.27 5.65 48.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.712 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 73.79 37.42 0.67 Allowed 'General case' 0 N--CA 1.456 -0.165 0 CA-C-O 120.718 0.294 . . . . 0.0 111.137 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 33.0 p -121.44 129.81 53.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.244 179.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -74.47 124.13 26.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.432 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.429 ' HB2' ' HE ' ' A' ' 61' ' ' ARG . 41.3 t80 -122.06 117.98 27.63 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.293 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -82.0 134.58 35.37 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.442 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -106.17 153.63 21.84 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.633 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.539 ' O ' ' NH2' ' A' ' 26' ' ' ARG . 3.8 p30 -100.51 134.44 43.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.052 179.682 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.7 pttm -71.48 -31.01 66.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.126 0.488 . . . . 0.0 110.629 179.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 73' ' ' ARG . 97.2 mt-10 -74.49 53.0 0.52 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.27 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.693 ' NH1' ' HE ' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -32.41 138.65 0.05 OUTLIER 'General case' 0 C--O 1.232 0.139 0 O-C-N 123.704 0.628 . . . . 0.0 111.136 -179.553 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -127.71 36.11 4.4 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.863 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.509 ' SG ' ' N ' ' A' ' 76' ' ' GLU . 0.7 OUTLIER -88.49 150.16 23.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.201 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.509 ' N ' ' SG ' ' A' ' 75' ' ' CYS . 5.0 tp10 -135.23 175.91 9.15 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.421 -179.591 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.523 ' OD1' ' N ' ' A' ' 78' ' ' LYS . 57.0 p30 -47.83 -20.24 0.29 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.303 -179.627 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.523 ' N ' ' OD1' ' A' ' 77' ' ' ASP . 37.0 ttpt -66.83 -36.9 83.42 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.64 179.235 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.684 ' O ' HG23 ' A' ' 83' ' ' VAL . 0.7 OUTLIER -80.45 -36.16 33.93 Favored 'General case' 0 C--O 1.216 -0.668 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.29 -179.734 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.757 HG21 ' N ' ' A' ' 17' ' ' TRP . 53.5 t -59.14 -41.65 84.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 C-N-CA 120.28 -0.568 . . . . 0.0 110.553 179.514 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.477 ' O ' ' CZ ' ' A' ' 13' ' ' ARG . 60.8 m80 -68.32 -42.59 79.14 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.186 -0.461 . . . . 0.0 112.04 -178.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.99 -20.16 39.03 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.606 -0.438 . . . . 0.0 111.066 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.684 HG23 ' O ' ' A' ' 79' ' ' GLU . 74.2 t -85.75 138.08 19.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.447 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.531 ' O ' ' NE2' ' A' ' 28' ' ' GLN . 0.9 OUTLIER -108.07 159.46 16.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.564 179.635 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 60.0 t -127.42 124.25 63.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.511 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.551 ' CD1' ' HB3' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -87.88 141.5 28.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 179.686 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.532 ' N ' ' CD1' ' A' ' 86' ' ' TYR . 12.6 m -128.6 134.4 64.66 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-O 121.621 0.724 . . . . 0.0 111.348 179.31 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 29.8 p90 . . . . . 0 C--N 1.323 -0.554 0 CA-C-O 117.893 -1.051 . . . . 0.0 110.146 179.601 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.308 0 N-CA-C 109.573 -1.411 . . . . 0.0 109.573 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 1.4 p 47.23 81.77 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.778 0.323 . . . . 0.0 110.701 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -63.77 -39.3 93.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.563 179.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . 0.47 ' CG ' ' H ' ' A' ' 1' ' ' MET . 1.8 ttt -134.86 -144.7 0.22 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.536 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.47 ' H ' ' CG ' ' A' ' 0' ' ' MET . 65.6 mtt -103.65 136.81 42.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.5 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.69 137.94 58.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.538 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 80.5 p -85.99 -31.09 22.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.733 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 46.0 t -163.09 148.77 11.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.672 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -106.07 142.39 35.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.297 179.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 98.4 t -89.88 109.54 20.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.465 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -118.5 149.91 47.02 Favored Pre-proline 0 C--N 1.331 -0.204 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.649 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -67.95 155.78 68.41 Favored 'Trans proline' 0 C--N 1.308 -1.598 0 C-N-CA 122.863 2.375 . . . . 0.0 112.2 179.022 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -82.09 -45.42 15.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.809 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.447 ' O ' HG22 ' A' ' 87' ' ' VAL . 70.3 m -165.47 177.7 7.27 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.68 -179.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.4 mp -133.05 130.56 58.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.416 179.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.3 m -119.33 177.46 4.9 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.556 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 91.1 mtt180 -111.24 130.51 55.63 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.764 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.462 ' O ' HG12 ' A' ' 80' ' ' VAL . . . -66.86 148.12 52.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.509 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.641 ' C ' HG11 ' A' ' 80' ' ' VAL . 44.4 mmtm -95.78 -37.12 10.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.346 -179.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.9 ttpp -132.17 -177.46 4.46 Favored 'General case' 0 C--O 1.226 -0.144 0 CA-C-O 121.002 0.429 . . . . 0.0 111.022 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.437 ' NE1' ' HD3' ' A' ' 73' ' ' ARG . 61.4 t90 -96.64 134.56 39.73 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.984 -179.418 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.6 m -160.23 160.0 32.19 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.624 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -46.06 -28.48 1.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.081 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.549 ' O ' HD23 ' A' ' 24' ' ' LEU . 49.4 mp0 -68.68 -44.17 74.58 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.688 179.234 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.444 ' N ' HD13 ' A' ' 21' ' ' ILE . 5.5 mm -71.04 -58.81 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 C-N-CA 120.471 -0.492 . . . . 0.0 109.806 -179.324 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.424 ' CD ' ' N ' ' A' ' 23' ' ' ASN . 1.8 tm-20 -40.33 -45.41 2.13 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.985 -179.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.424 ' N ' ' CD ' ' A' ' 22' ' ' GLU . 1.0 OUTLIER -60.45 -49.59 76.97 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.797 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.728 HD12 HE21 ' A' ' 28' ' ' GLN . 3.5 mm? -54.59 -44.26 72.87 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.737 -178.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 73.1 t80 -59.73 -48.93 79.71 Favored 'General case' 0 C--N 1.319 -0.759 0 C-N-CA 120.794 -0.362 . . . . 0.0 111.248 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.793 HH21 HH12 ' A' ' 73' ' ' ARG . 90.3 mtt180 -61.77 -48.59 79.96 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.569 -0.452 . . . . 0.0 111.418 -178.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -65.35 -46.6 79.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.065 0.46 . . . . 0.0 110.552 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.728 HE21 HD12 ' A' ' 24' ' ' LEU . 60.6 mt-30 -54.27 -42.08 69.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.971 -179.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -62.1 -36.84 82.94 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.409 178.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.36 -16.92 63.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.994 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 103.54 12.6 30.28 Favored Glycine 0 CA--C 1.527 0.804 0 N-CA-C 111.273 -0.731 . . . . 0.0 111.273 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.658 ' CE1' HG21 ' A' ' 41' ' ' VAL . 31.8 m-85 -114.31 146.51 40.4 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 121.182 0.515 . . . . 0.0 110.962 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.477 ' H ' ' CD ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -76.48 -36.17 57.99 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.186 179.664 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 52.3 p-10 -161.01 170.6 20.22 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.352 179.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -51.0 -30.08 14.2 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.531 -179.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 48.8 mm -57.91 -48.44 83.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.617 -178.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 44.8 tp10 -64.66 -40.59 95.69 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.969 0.414 . . . . 0.0 110.191 -179.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.446 ' CD1' HD11 ' A' ' 59' ' ' LEU . 32.2 t80 -60.75 -46.59 89.88 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.527 179.588 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.583 ' O ' ' N ' ' A' ' 43' ' ' GLN . 59.6 mttp -59.9 -40.69 89.61 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.043 -178.694 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -62.33 -41.5 98.61 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.975 0.417 . . . . 0.0 110.587 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.658 HG21 ' CE1' ' A' ' 32' ' ' TYR . 76.9 t -61.73 -44.28 98.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.025 -179.492 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.436 ' O ' HG13 ' A' ' 44' ' ' VAL . 27.4 mmtp -100.24 5.5 44.65 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.795 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.583 ' N ' ' O ' ' A' ' 39' ' ' LYS . 77.9 mt-30 37.93 59.74 1.3 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.636 179.583 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.436 HG13 ' O ' ' A' ' 42' ' ' LYS . 27.0 m -113.11 -166.28 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.452 -179.681 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -126.99 -28.7 2.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.805 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -151.03 163.64 38.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.49 -179.634 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.407 ' HB ' HH12 ' A' ' 49' ' ' ARG . 5.9 t -122.3 142.96 36.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 120.954 0.407 . . . . 0.0 110.244 -179.608 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -66.47 145.7 55.37 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.044 0.449 . . . . 0.0 110.686 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.407 HH12 ' HB ' ' A' ' 47' ' ' VAL . 65.1 mtt85 -140.36 153.65 46.46 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.318 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.618 ' CZ2' ' NZ ' ' A' ' 57' ' ' LYS . 75.7 m95 -78.28 145.6 68.89 Favored Pre-proline 0 C--O 1.222 -0.36 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -179.677 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.496 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 38.3 Cg_endo -68.99 164.05 35.28 Favored 'Trans proline' 0 C--N 1.306 -1.663 0 C-N-CA 122.074 1.849 . . . . 0.0 110.178 175.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.496 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 9.1 tp10 82.68 -48.11 0.17 Allowed 'General case' 0 CA--C 1.512 -0.506 0 O-C-N 123.041 0.213 . . . . 0.0 110.845 179.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.518 ' HB ' ' CE2' ' A' ' 55' ' ' TYR . 69.9 p -118.86 -37.86 3.18 Favored 'General case' 0 CA--C 1.519 -0.226 0 C-N-CA 119.771 -0.771 . . . . 0.0 111.63 -178.714 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 50' ' ' TRP . . . 85.07 20.51 57.38 Favored Glycine 0 CA--C 1.525 0.687 0 C-N-CA 120.546 -0.835 . . . . 0.0 111.126 -179.68 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.518 ' CE2' ' HB ' ' A' ' 53' ' ' THR . 24.6 m-85 -71.1 163.1 28.28 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.866 -0.333 . . . . 0.0 110.666 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 96.1 t -58.68 128.29 19.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.821 -178.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.618 ' NZ ' ' CZ2' ' A' ' 50' ' ' TRP . 8.3 tptp -73.0 -50.77 21.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.817 -179.659 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -155.81 153.93 30.57 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.48 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.558 HD13 ' N ' ' A' ' 60' ' ' GLN . 0.1 OUTLIER -145.03 131.17 19.4 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.503 -0.479 . . . . 0.0 110.88 179.647 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.558 ' N ' HD13 ' A' ' 59' ' ' LEU . 10.6 tt0 -80.02 130.24 35.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.138 0.494 . . . . 0.0 110.82 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.2 mtm180 -75.73 168.02 20.8 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.639 -178.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 15.9 mtt-85 -65.64 -11.43 44.65 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.114 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -94.47 12.49 27.07 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.637 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 56.4 m-20 65.53 37.07 6.22 Favored 'General case' 0 C--N 1.333 -0.134 0 O-C-N 123.326 0.391 . . . . 0.0 111.279 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 29.4 p -118.66 129.33 55.24 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.466 179.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -76.08 120.1 20.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.577 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -115.28 115.47 26.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.125 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -82.51 141.96 32.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.342 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 66.9 m-85 -114.39 148.55 37.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.723 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.736 HD21 ' CB ' ' A' ' 72' ' ' GLU . 1.2 t30 -91.46 145.78 24.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.446 ' HB3' ' CG ' ' A' ' 50' ' ' TRP . 7.8 pttt -81.71 -21.25 38.11 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.673 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 1.036 ' O ' ' O ' ' A' ' 73' ' ' ARG . 1.0 OUTLIER -72.21 54.75 0.31 Allowed 'General case' 0 CA--C 1.499 -0.99 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.837 -178.658 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 1.036 ' O ' ' O ' ' A' ' 72' ' ' GLU . 4.1 tpm_? 8.05 153.67 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.528 0 CA-C-O 122.548 1.166 . . . . 0.0 112.709 -179.648 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 1.017 ' H ' ' NE ' ' A' ' 73' ' ' ARG . 7.9 tt0 -150.5 12.24 0.71 Allowed 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.126 -0.984 . . . . 0.0 111.472 177.665 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.855 ' H ' ' HE ' ' A' ' 73' ' ' ARG . 45.4 t -93.85 130.19 39.99 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 120.808 0.337 . . . . 0.0 111.883 -179.347 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -117.91 169.38 9.67 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.53 178.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -49.13 -30.43 6.66 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-O 121.205 0.526 . . . . 0.0 110.273 -179.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 41.9 mtpt -63.98 -29.72 70.86 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.456 179.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.664 ' O ' HG23 ' A' ' 83' ' ' VAL . 5.2 mt-10 -83.15 -28.19 29.55 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.785 179.481 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.641 HG11 ' C ' ' A' ' 15' ' ' LYS . 56.1 t -57.73 -48.32 83.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 179.517 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 32.4 m170 -68.63 -40.65 80.24 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.701 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.6 mmmt -72.3 -26.65 62.04 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.934 0.397 . . . . 0.0 110.888 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 79' ' ' GLU . 69.8 t -87.08 142.09 13.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.809 -179.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.518 ' O ' ' NE2' ' A' ' 28' ' ' GLN . 56.5 mtmt -113.84 158.12 21.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.49 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 61.7 t -127.11 126.95 69.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.67 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.534 ' CD1' ' O ' ' A' ' 86' ' ' TYR . 0.5 OUTLIER -81.33 144.66 31.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.42 179.731 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.447 HG22 ' O ' ' A' ' 10' ' ' SER . 6.3 m -126.19 138.02 55.91 Favored 'Isoleucine or valine' 0 C--O 1.231 0.132 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.582 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 35.3 p90 . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 118.041 -0.981 . . . . 0.0 110.521 -179.869 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.31 0 N-CA-C 109.62 -1.392 . . . . 0.0 109.62 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 69.9 m -67.59 144.37 55.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.819 0.342 . . . . 0.0 110.589 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -89.13 153.74 20.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.654 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.03 151.27 21.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.632 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.4 tpt -89.62 123.35 33.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.397 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.436 ' O ' ' O ' ' A' ' 3' ' ' THR . . . -67.55 145.93 54.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.53 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.436 ' O ' ' O ' ' A' ' 2' ' ' ALA . 0.0 OUTLIER 55.81 161.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.532 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.6 p -137.35 79.77 1.77 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.673 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 53.5 p-10 -81.35 -177.25 6.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.589 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 96.0 t -108.16 125.38 64.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.518 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.4 mmtp -98.27 150.2 36.5 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.351 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -67.95 156.4 66.04 Favored 'Trans proline' 0 C--N 1.309 -1.546 0 C-N-CA 122.726 2.284 . . . . 0.0 112.556 179.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -96.59 -41.97 8.28 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.397 -179.604 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 64.4 m -155.18 163.11 40.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.959 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.7 mp -129.81 134.42 63.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.572 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 39.0 t -126.22 176.57 6.98 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.55 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -113.81 130.64 56.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.527 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.568 ' HB3' HG13 ' A' ' 80' ' ' VAL . . . -65.45 154.21 39.14 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.061 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.73 -37.9 17.46 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.911 -179.729 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.711 ' CD ' ' H ' ' A' ' 17' ' ' TRP . 22.3 tptm -167.27 173.39 8.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.161 0.505 . . . . 0.0 111.122 179.573 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.711 ' H ' ' CD ' ' A' ' 16' ' ' LYS . 18.3 t90 -53.35 133.94 40.01 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.208 -0.906 . . . . 0.0 110.142 -178.71 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -163.23 162.99 25.61 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.123 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -56.81 -39.74 74.73 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.082 -178.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -66.77 -46.35 75.58 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.422 -0.511 . . . . 0.0 110.925 179.115 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.511 ' N ' HD13 ' A' ' 21' ' ' ILE . 4.4 mm -70.2 -57.71 7.35 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.346 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 -178.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.557 ' OE2' ' NE ' ' A' ' 26' ' ' ARG . 6.3 tm-20 -39.8 -49.91 2.37 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.995 0.426 . . . . 0.0 110.373 179.584 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -60.67 -47.37 86.56 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.531 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.795 ' CD1' HG13 ' A' ' 85' ' ' VAL . 71.8 mt -58.39 -40.1 81.46 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.14 -179.065 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 23.7 t80 -59.59 -49.64 76.98 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.389 178.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.557 ' NE ' ' OE2' ' A' ' 22' ' ' GLU . 92.8 mtt180 -61.24 -46.19 91.42 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.431 -179.144 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -62.71 -49.33 75.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.871 0.367 . . . . 0.0 110.831 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.514 ' NE2' ' O ' ' A' ' 84' ' ' LYS . 69.2 mt-30 -57.39 -41.66 80.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.147 -178.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 89.6 mm-40 -62.7 -40.25 96.56 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.448 178.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 62' ' ' ARG . . . -72.68 -20.52 61.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.81 0.338 . . . . 0.0 110.601 179.521 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 107.27 1.91 35.61 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.481 ' CE2' ' O ' ' A' ' 60' ' ' GLN . 16.5 m-85 -100.19 150.23 22.73 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.07 0.462 . . . . 0.0 110.155 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.28 -35.47 18.45 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.383 -179.466 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.429 ' OD1' ' OH ' ' A' ' 86' ' ' TYR . 2.3 p-10 -170.98 -178.71 2.56 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.684 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -48.85 -35.76 15.37 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.175 -178.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 77.8 mt -55.33 -49.04 75.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.948 -178.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -67.61 -41.73 83.53 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.876 -0.33 . . . . 0.0 110.992 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -59.5 -46.92 87.43 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.03 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.532 ' O ' ' N ' ' A' ' 43' ' ' GLN . 97.8 mttt -60.33 -41.78 94.27 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 120.643 -0.423 . . . . 0.0 111.382 -179.496 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -63.69 -42.75 97.97 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.957 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.48 HG21 ' CE1' ' A' ' 32' ' ' TYR . 72.5 t -61.74 -45.83 97.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.859 0.362 . . . . 0.0 111.283 -179.393 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.498 ' O ' HG13 ' A' ' 44' ' ' VAL . 68.7 mmtt -94.65 -0.33 54.49 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.609 -179.632 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.532 ' N ' ' O ' ' A' ' 39' ' ' LYS . 74.1 mm-40 50.52 51.49 16.76 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.526 -0.469 . . . . 0.0 110.838 179.604 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.498 HG13 ' O ' ' A' ' 42' ' ' LYS . 34.7 m -128.55 -177.1 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.312 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -135.62 20.39 3.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 -179.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.7 mtm -158.28 142.75 16.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.494 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.1 t -115.01 134.36 58.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -68.88 135.49 51.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.745 0.307 . . . . 0.0 110.658 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.692 HH12 HG22 ' A' ' 56' ' ' VAL . 85.6 mtt-85 -145.37 169.13 18.9 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.731 -0.387 . . . . 0.0 110.232 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.507 ' O ' ' N ' ' A' ' 54' ' ' GLY . 68.0 m95 -95.89 139.47 21.85 Favored Pre-proline 0 C--O 1.221 -0.422 0 C-N-CA 120.194 -0.603 . . . . 0.0 111.068 179.71 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -64.95 -31.48 56.17 Favored 'Trans proline' 0 N--CA 1.497 1.717 0 C-N-CA 121.925 1.75 . . . . 0.0 113.084 -179.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -58.51 -51.04 71.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.034 -177.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 66.8 p -118.26 -30.67 5.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.614 -178.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 50' ' ' TRP . . . 87.64 20.5 50.94 Favored Glycine 0 C--O 1.224 -0.5 0 C-N-CA 119.921 -1.133 . . . . 0.0 111.097 -179.081 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.5 ' OH ' ' CH2' ' A' ' 17' ' ' TRP . 29.4 m-85 -82.47 164.01 21.21 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.159 -0.616 . . . . 0.0 110.774 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.692 HG22 HH12 ' A' ' 49' ' ' ARG . 64.8 t -58.85 125.6 15.13 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.464 -179.255 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.3 tptm -76.17 -53.55 8.12 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.719 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -143.56 145.47 32.56 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.391 -179.028 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.468 HD13 HG11 ' A' ' 56' ' ' VAL . 4.6 tp -146.17 128.41 15.75 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.083 179.732 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.481 ' O ' ' CE2' ' A' ' 32' ' ' TYR . 32.7 tt0 -81.46 135.16 35.62 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.907 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.5 mtm180 -77.09 164.81 25.35 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.785 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.495 ' N ' ' O ' ' A' ' 30' ' ' ALA . 14.0 mtt180 -64.25 -6.48 6.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.995 179.508 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -98.68 8.3 45.1 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.119 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 75.99 -4.12 2.43 Favored 'General case' 0 CA--C 1.522 -0.134 0 CA-C-O 120.846 0.355 . . . . 0.0 110.638 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 24.1 p -78.21 129.59 35.29 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.01 179.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -74.86 127.33 32.94 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.138 -179.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -122.64 112.27 17.77 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.164 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -83.35 136.71 34.25 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.197 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -105.63 151.89 23.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.542 179.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -103.23 124.21 48.2 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.374 179.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.8 pttm -49.04 -37.35 20.58 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.186 -0.605 . . . . 0.0 110.308 179.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.43 ' O ' ' C ' ' A' ' 73' ' ' ARG . 5.8 mt-10 -84.45 45.75 1.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.626 -0.429 . . . . 0.0 109.94 178.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.462 ' CG ' HH21 ' A' ' 26' ' ' ARG . 0.0 OUTLIER -33.56 146.89 0.02 OUTLIER 'General case' 0 C--O 1.231 0.122 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.275 -179.874 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -104.14 34.4 3.07 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.375 -0.829 . . . . 0.0 110.048 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.508 ' SG ' ' OE1' ' A' ' 79' ' ' GLU . 83.4 m -88.21 137.76 32.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.555 179.395 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -130.35 173.41 10.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.748 -179.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.519 ' OD1' ' N ' ' A' ' 78' ' ' LYS . 44.1 p30 -47.49 -26.48 1.4 Allowed 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.676 -179.54 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.519 ' N ' ' OD1' ' A' ' 77' ' ' ASP . 38.8 ttpt -62.26 -39.19 92.07 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.119 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.775 ' O ' HG23 ' A' ' 83' ' ' VAL . 98.4 mt-10 -81.38 -33.24 32.45 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.521 -0.472 . . . . 0.0 110.617 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.614 HG21 ' N ' ' A' ' 17' ' ' TRP . 50.2 t -58.5 -47.9 86.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 C-N-CA 120.283 -0.567 . . . . 0.0 109.789 179.607 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 48.2 t-80 -60.83 -44.87 96.36 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.502 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 36.7 mtmt -72.89 -26.96 61.62 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.956 179.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.775 HG23 ' O ' ' A' ' 79' ' ' GLU . 54.0 t -76.69 134.64 28.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.286 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.514 ' O ' ' NE2' ' A' ' 28' ' ' GLN . 53.9 pttt -104.41 141.65 35.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.084 179.354 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.795 HG13 ' CD1' ' A' ' 24' ' ' LEU . 19.0 t -106.39 119.07 55.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 -179.42 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.539 ' CD1' ' O ' ' A' ' 86' ' ' TYR . 0.7 OUTLIER -89.35 140.85 29.09 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.707 -179.554 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 5.8 m -127.88 131.7 69.46 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.132 0 CA-C-O 121.17 0.51 . . . . 0.0 110.667 179.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 14.7 p90 . . . . . 0 C--O 1.219 -0.541 0 CA-C-O 118.047 -0.978 . . . . 0.0 110.62 179.978 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.367 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 83.5 p -70.59 159.5 34.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.889 0.376 . . . . 0.0 110.574 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 63.3 t-80 -61.55 -46.34 90.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.687 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 2.9 mtt -80.77 177.24 9.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.6 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.8 ttm 61.67 129.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.536 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -60.07 146.82 41.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.611 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.625 ' O ' HG23 ' A' ' 6' ' ' VAL . 65.5 p -56.6 107.16 0.36 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.466 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.2 m 54.91 19.09 2.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.48 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 46.45 45.78 13.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.36 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 3' ' ' THR . 90.8 t -55.7 128.77 16.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.25 -179.417 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -117.44 152.17 49.07 Favored Pre-proline 0 CA--C 1.533 0.313 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.558 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -45.18 156.83 0.27 Allowed 'Trans proline' 0 N--CA 1.491 1.332 0 C-N-CA 122.51 2.14 . . . . 0.0 112.301 179.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 18.0 tttt -92.17 -27.34 17.76 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.398 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -172.56 -179.7 2.25 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.016 -179.631 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.8 mp -135.27 130.93 51.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.692 179.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.3 m -122.44 177.13 5.53 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.446 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.28 134.29 55.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.056 -179.596 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -48.35 154.54 0.6 Allowed 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.023 -179.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.14 -44.87 4.66 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 120.644 -0.422 . . . . 0.0 111.385 -179.352 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.6 tptt -141.78 -177.28 5.12 Favored 'General case' 0 C--O 1.22 -0.468 0 C-N-CA 120.436 -0.505 . . . . 0.0 110.541 -179.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.645 ' CZ2' ' N ' ' A' ' 75' ' ' CYS . 15.7 t90 -90.59 119.62 31.0 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 120.336 -0.545 . . . . 0.0 111.47 -178.787 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 42.3 t -157.94 156.86 32.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.829 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.839 ' N ' HH21 ' A' ' 73' ' ' ARG . 0.7 OUTLIER -45.93 -27.51 0.91 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.099 -179.672 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -66.59 -50.08 64.22 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.201 0.524 . . . . 0.0 110.134 179.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.408 ' O ' ' C ' ' A' ' 22' ' ' GLU . 19.4 mm -71.51 -58.5 5.03 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.499 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.074 -179.578 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.474 ' OE2' ' SG ' ' A' ' 75' ' ' CYS . 6.3 tp10 -43.17 -48.47 6.44 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.381 -0.528 . . . . 0.0 109.621 -178.642 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.402 ' ND2' ' C ' ' A' ' 23' ' ' ASN . 1.1 t30 -61.23 -48.3 82.12 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.771 179.337 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.704 HD13 HG13 ' A' ' 85' ' ' VAL . 31.6 mt -57.06 -36.01 70.02 Favored 'General case' 0 C--O 1.221 -0.426 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 -178.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -59.52 -47.49 85.31 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.579 -0.448 . . . . 0.0 109.898 178.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.511 ' NH2' ' O ' ' A' ' 70' ' ' ASN . 86.2 mtt180 -61.09 -49.83 75.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.471 -179.716 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.454 ' CE2' HG21 ' A' ' 56' ' ' VAL . 22.0 m-85 -63.29 -48.48 77.96 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 120.893 0.378 . . . . 0.0 110.672 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.589 ' NE2' ' O ' ' A' ' 84' ' ' LYS . 73.3 mt-30 -57.37 -41.24 79.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.319 -179.678 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 50.7 mm-40 -58.75 -39.53 81.24 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.568 -0.453 . . . . 0.0 109.992 178.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.88 -14.95 62.58 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.073 179.318 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 103.52 1.53 46.91 Favored Glycine 0 CA--C 1.528 0.892 0 N-CA-C 111.402 -0.679 . . . . 0.0 111.402 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.49 ' N ' ' CD1' ' A' ' 32' ' ' TYR . 12.5 m-85 -99.02 145.88 26.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.962 0.41 . . . . 0.0 110.204 -179.145 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.682 ' N ' ' HE ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -79.47 -37.97 35.6 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.496 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -161.75 170.88 18.81 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.657 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -50.39 -25.78 4.26 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.153 -179.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 95.3 mt -59.87 -48.85 86.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.914 -179.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -64.54 -40.71 96.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.91 0.385 . . . . 0.0 110.471 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.506 ' CD1' HD11 ' A' ' 59' ' ' LEU . 55.1 t80 -60.13 -46.92 88.0 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.427 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.559 ' O ' ' N ' ' A' ' 43' ' ' GLN . 97.8 mttt -61.48 -39.0 89.32 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.554 -0.293 . . . . 0.0 111.471 -179.47 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -61.38 -46.03 91.86 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.86 0.362 . . . . 0.0 110.804 -179.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.0 t -62.37 -41.21 90.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.041 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.519 ' O ' HG13 ' A' ' 44' ' ' VAL . 72.2 mmtt -91.72 -7.0 50.98 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.606 -179.579 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.559 ' N ' ' O ' ' A' ' 39' ' ' LYS . 77.1 mm-40 51.74 50.23 19.14 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.631 -0.428 . . . . 0.0 111.041 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.519 HG13 ' O ' ' A' ' 42' ' ' LYS . 30.3 m -129.5 -173.49 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.364 179.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -138.85 32.38 2.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.859 -179.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 16.4 ptm -162.19 149.92 14.3 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.762 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 10.8 t -128.97 136.66 59.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -64.43 128.93 37.91 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.867 0.365 . . . . 0.0 110.55 -179.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -143.68 166.54 24.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.645 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 81.1 m95 -99.9 142.34 24.43 Favored Pre-proline 0 CA--C 1.534 0.359 0 C-N-CA 120.279 -0.568 . . . . 0.0 110.874 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -65.82 -36.34 32.07 Favored 'Trans proline' 0 N--CA 1.497 1.697 0 C-N-CA 122.274 1.983 . . . . 0.0 112.897 -179.23 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -41.34 -48.3 3.65 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.606 -178.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.5 ' OG1' ' CD2' ' A' ' 55' ' ' TYR . 13.0 p -135.31 -36.64 0.8 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.4 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 102.15 34.74 4.15 Favored Glycine 0 CA--C 1.524 0.613 0 C-N-CA 120.885 -0.674 . . . . 0.0 111.88 -179.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.525 ' CZ ' ' HG3' ' A' ' 73' ' ' ARG . 54.7 m-85 -91.72 165.63 13.19 Favored 'General case' 0 C--O 1.237 0.426 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 178.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.454 HG21 ' CE2' ' A' ' 27' ' ' PHE . 59.6 t -63.07 119.78 7.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.07 -178.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 75.5 tttt -74.03 -49.64 23.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.121 179.13 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 61.0 pttt -150.07 154.08 37.52 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.608 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.616 HD13 ' H ' ' A' ' 60' ' ' GLN . 0.1 OUTLIER -151.26 135.21 16.57 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-O 121.154 0.502 . . . . 0.0 110.622 -179.795 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.616 ' H ' HD13 ' A' ' 59' ' ' LEU . 40.9 tt0 -77.67 136.3 38.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.718 -0.673 . . . . 0.0 109.545 179.597 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 54.1 mtm180 -81.36 172.36 13.66 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.13 0.49 . . . . 0.0 111.184 -179.202 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 9.5 mmt-85 -70.25 -11.1 60.67 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.113 -0.948 . . . . 0.0 110.128 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.428 ' O ' ' CB ' ' A' ' 64' ' ' ASN . 96.7 m-20 -96.81 4.67 51.6 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.95 -179.755 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.428 ' CB ' ' O ' ' A' ' 63' ' ' ASP . 2.2 m-20 80.63 0.65 1.87 Allowed 'General case' 0 C--N 1.341 0.234 0 CA-C-O 120.776 0.322 . . . . 0.0 110.668 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 11.6 p -86.66 132.51 33.86 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.176 179.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -80.19 133.01 35.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.525 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -128.83 119.64 24.85 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.826 0.346 . . . . 0.0 110.17 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -82.41 136.26 34.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.605 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -106.43 163.81 12.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.825 179.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.591 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 0.0 OUTLIER -96.83 133.12 41.84 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.825 -179.804 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 22.7 pttt -71.75 -21.41 61.75 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.408 0.623 . . . . 0.0 110.542 179.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.53 147.2 47.95 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.373 -0.531 . . . . 0.0 109.924 -179.193 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.839 HH21 ' N ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -109.69 108.57 19.0 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-O 121.181 0.515 . . . . 0.0 110.817 -179.533 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -134.54 30.09 3.52 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.084 179.204 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.645 ' N ' ' CZ2' ' A' ' 17' ' ' TRP . 0.0 OUTLIER -74.16 142.53 45.47 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 119.989 -0.684 . . . . 0.0 110.368 178.76 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.445 ' C ' ' N ' ' A' ' 78' ' ' LYS . 13.9 mm-40 -119.88 165.82 14.11 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.035 0.445 . . . . 0.0 110.869 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -49.56 -16.9 0.25 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.822 -179.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.445 ' N ' ' C ' ' A' ' 76' ' ' GLU . 0.0 OUTLIER -65.49 -35.17 80.1 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-O 121.129 0.49 . . . . 0.0 110.397 178.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.72 ' O ' HG23 ' A' ' 83' ' ' VAL . 1.5 tp10 -81.14 -38.02 27.86 Favored 'General case' 0 C--O 1.222 -0.374 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 66.5 t -58.01 -39.3 71.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 C-N-CA 120.347 -0.541 . . . . 0.0 110.472 179.473 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 64.2 m170 -70.99 -43.01 68.89 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -178.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.77 -20.95 34.88 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 120.726 -0.39 . . . . 0.0 111.18 -179.033 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.72 HG23 ' O ' ' A' ' 79' ' ' GLU . 44.1 t -74.47 130.8 35.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.37 0.605 . . . . 0.0 111.465 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.589 ' O ' ' NE2' ' A' ' 28' ' ' GLN . 21.3 pttm -114.87 128.5 56.33 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.032 179.307 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.704 HG13 HD13 ' A' ' 24' ' ' LEU . 20.6 t -108.31 130.83 60.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.929 0.395 . . . . 0.0 110.958 -178.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.439 ' CD1' ' O ' ' A' ' 86' ' ' TYR . 0.3 OUTLIER -83.34 157.99 22.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.009 -179.831 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.419 ' O ' HG13 ' A' ' 87' ' ' VAL . 4.0 p -127.04 131.23 71.07 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 CA-C-O 121.072 0.463 . . . . 0.0 110.173 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 9.3 p90 . . . . . 0 C--O 1.219 -0.514 0 CA-C-O 117.87 -1.062 . . . . 0.0 110.364 -179.842 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' -2' ' ' SER . . . . . . . . 0 N--CA 1.491 2.33 0 N-CA-C 109.481 -1.448 . . . . 0.0 109.481 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' -3' ' ' GLY . 0.0 OUTLIER 53.65 171.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.827 0.346 . . . . 0.0 110.525 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 34.2 p80 -156.29 162.71 40.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.428 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 11.8 mtt -117.97 160.17 21.92 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.612 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.0 ptt? -158.52 159.6 35.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.609 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -58.23 143.89 42.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.527 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 61.6 p -77.28 162.62 27.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.525 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 82.4 p -79.63 -12.51 59.82 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.693 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -93.0 92.0 7.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.463 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 81.3 t -117.57 120.79 65.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.292 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -73.9 148.77 87.34 Favored Pre-proline 0 C--N 1.324 -0.5 0 C-N-CA 120.337 -0.545 . . . . 0.0 111.017 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -68.53 152.94 74.63 Favored 'Trans proline' 0 N--CA 1.495 1.599 0 C-N-CA 122.373 2.049 . . . . 0.0 112.47 179.141 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -105.49 -32.69 8.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.593 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 45.3 m -159.63 165.59 32.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.687 179.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.5 mp -133.54 134.81 56.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.643 179.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 41.2 t -122.74 176.22 6.08 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.397 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? -113.21 129.74 56.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.507 -179.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.463 ' HB2' HD12 ' A' ' 21' ' ' ILE . . . -65.45 150.63 48.03 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.811 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -115.36 13.6 16.61 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 179.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.711 ' CD ' ' H ' ' A' ' 17' ' ' TRP . 55.6 tptt -172.43 172.71 4.31 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.039 177.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.711 ' H ' ' CD ' ' A' ' 16' ' ' LYS . 59.5 t90 -97.33 123.88 41.28 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.41 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.41 ' O ' ' N ' ' A' ' 21' ' ' ILE . 93.7 p -152.68 155.46 37.31 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.067 179.099 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -44.96 -25.32 0.3 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.225 -179.243 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -69.64 -42.38 74.36 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 179.083 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.463 HD12 ' HB2' ' A' ' 14' ' ' ALA . 19.0 mm -73.03 -58.84 4.13 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.468 0 C-N-CA 120.678 -0.409 . . . . 0.0 110.01 -179.342 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.479 ' CD ' ' NE ' ' A' ' 73' ' ' ARG . 35.0 tp10 -47.23 -48.3 24.34 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.219 -0.592 . . . . 0.0 110.539 -178.268 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -56.67 -47.71 79.23 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.6 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.621 ' CD1' HG13 ' A' ' 85' ' ' VAL . 73.5 mt -59.92 -40.16 87.9 Favored 'General case' 0 CA--C 1.511 -0.548 0 C-N-CA 120.309 -0.557 . . . . 0.0 110.152 -179.749 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -60.76 -49.0 79.25 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.171 -0.611 . . . . 0.0 110.169 178.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.474 HH21 ' HE ' ' A' ' 73' ' ' ARG . 96.6 mtt180 -61.43 -45.72 93.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.231 -179.496 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -63.69 -49.13 74.34 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.98 0.419 . . . . 0.0 110.484 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -58.62 -39.79 81.49 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.1 -179.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -60.55 -42.77 97.26 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.645 -0.422 . . . . 0.0 109.909 178.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.527 ' HB1' ' HA ' ' A' ' 61' ' ' ARG . . . -73.2 -16.24 61.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.351 179.44 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 100.47 3.31 55.38 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 111.515 -0.634 . . . . 0.0 111.515 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.533 ' CE2' ' O ' ' A' ' 60' ' ' GLN . 11.2 m-30 -94.02 146.42 23.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.459 0.647 . . . . 0.0 110.109 -179.609 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.635 ' NE ' ' N ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -79.91 -42.07 24.84 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.437 -178.642 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.508 ' CG ' ' H ' ' A' ' 35' ' ' GLU . 18.7 t70 -170.45 179.8 3.24 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.698 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.508 ' H ' ' CG ' ' A' ' 34' ' ' ASP . 99.1 mt-10 -46.3 -27.83 1.14 Allowed 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.502 -179.259 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 90.2 mt -58.63 -48.65 85.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.992 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.55 ' O ' HG23 ' A' ' 41' ' ' VAL . 50.2 tp10 -67.56 -42.84 81.95 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.323 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -59.08 -46.84 87.26 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.415 -0.514 . . . . 0.0 111.122 -178.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.571 ' HZ1' HG23 ' A' ' 47' ' ' VAL . 60.8 mttp -61.38 -39.63 91.36 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.859 0.362 . . . . 0.0 110.853 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -62.55 -42.58 99.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.601 179.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 37' ' ' GLU . 67.1 t -64.08 -43.68 97.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 120.81 0.338 . . . . 0.0 110.628 -179.328 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.467 ' N ' ' CD ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -91.11 -4.34 56.31 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.539 -179.58 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.53 ' N ' ' O ' ' A' ' 39' ' ' LYS . 14.5 mm100 52.41 48.12 23.28 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.613 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 23.5 m -123.5 -172.23 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.417 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -133.91 20.56 3.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.817 -179.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.437 ' SD ' ' C ' ' A' ' 46' ' ' MET . 4.1 ppp? -158.62 152.79 23.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.726 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.571 HG23 ' HZ1' ' A' ' 39' ' ' LYS . 19.4 t -111.07 136.9 45.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.204 -179.685 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -75.52 124.03 26.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.502 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.547 ' NE ' ' O ' ' A' ' 54' ' ' GLY . 29.4 mtp180 -143.56 169.92 16.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.733 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.429 ' O ' ' N ' ' A' ' 54' ' ' GLY . 89.0 m95 -96.32 143.21 25.72 Favored Pre-proline 0 C--O 1.219 -0.506 0 C-N-CA 120.363 -0.535 . . . . 0.0 111.23 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -66.41 -27.76 46.9 Favored 'Trans proline' 0 N--CA 1.497 1.697 0 C-N-CA 122.09 1.86 . . . . 0.0 112.579 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -53.63 -53.59 49.73 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.936 -178.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.52 ' OG1' ' CD2' ' A' ' 55' ' ' TYR . 76.3 p -124.96 -27.6 3.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.287 -179.717 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.547 ' O ' ' NE ' ' A' ' 49' ' ' ARG . . . 93.87 19.21 34.8 Favored Glycine 0 CA--C 1.521 0.442 0 C-N-CA 120.174 -1.013 . . . . 0.0 111.317 -179.41 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.52 ' CD2' ' OG1' ' A' ' 53' ' ' THR . 27.4 m-85 -82.56 153.59 25.44 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.503 -0.479 . . . . 0.0 110.942 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.933 HG11 HD13 ' A' ' 59' ' ' LEU . 32.7 t -57.26 125.62 13.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.984 -178.677 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.421 ' CD ' ' CZ2' ' A' ' 50' ' ' TRP . 25.8 ttpp -75.32 -48.62 22.26 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.074 179.707 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -144.81 146.72 32.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.197 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.933 HD13 HG11 ' A' ' 56' ' ' VAL . 4.6 tp -144.66 133.13 21.97 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.183 179.722 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.533 ' O ' ' CE2' ' A' ' 32' ' ' TYR . 21.9 tt0 -84.76 132.66 34.41 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.124 0.487 . . . . 0.0 111.146 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.527 ' HA ' ' HB1' ' A' ' 30' ' ' ALA . 14.3 mtm180 -76.92 170.44 16.49 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.791 -179.468 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 17.9 ttt180 -67.87 -7.65 29.86 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.943 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -99.25 8.75 44.49 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.179 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 76.6 -4.77 2.3 Favored 'General case' 0 CA--C 1.521 -0.151 0 CA-C-O 120.907 0.384 . . . . 0.0 110.586 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 19.0 p -78.52 128.92 34.23 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.414 179.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -75.09 126.93 32.05 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.301 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -119.44 115.58 24.37 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.219 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 -82.52 137.48 34.59 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.431 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -108.86 152.87 24.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.751 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -97.49 134.75 40.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.866 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.9 pttp -76.22 -28.65 57.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.163 0.506 . . . . 0.0 110.27 179.452 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -71.65 56.96 0.28 Allowed 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.192 -0.603 . . . . 0.0 110.242 179.316 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.479 ' NE ' ' CD ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -37.18 135.03 0.53 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.617 -179.314 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -131.46 40.9 3.37 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.717 179.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.524 ' SG ' ' CD1' ' A' ' 17' ' ' TRP . 0.0 OUTLIER -89.76 145.7 25.01 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.619 179.498 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.453 ' N ' ' SG ' ' A' ' 75' ' ' CYS . 76.3 mm-40 -129.86 173.66 10.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.577 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.484 ' OD1' ' N ' ' A' ' 78' ' ' LYS . 51.4 p-10 -48.6 -23.2 0.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.297 -179.063 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.484 ' N ' ' OD1' ' A' ' 77' ' ' ASP . 56.3 mtmt -64.28 -36.82 85.35 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.755 178.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.499 ' O ' HG23 ' A' ' 83' ' ' VAL . 76.7 mm-40 -81.1 -32.31 33.92 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.52 179.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.557 HG11 ' N ' ' A' ' 16' ' ' LYS . 53.6 t -56.84 -45.09 83.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 -179.66 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -69.67 -40.85 76.18 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.149 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.77 -28.8 64.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.787 0.327 . . . . 0.0 110.97 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 79' ' ' GLU . 90.1 t -89.02 137.22 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 26.3 mttm -110.32 161.33 15.73 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.28 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.621 HG13 ' CD1' ' A' ' 24' ' ' LEU . 2.6 t -118.48 125.17 74.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-O 120.845 0.355 . . . . 0.0 110.173 -179.727 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.599 ' CD1' ' O ' ' A' ' 86' ' ' TYR . 0.2 OUTLIER -90.03 144.02 26.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.818 -179.524 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.2 m -130.14 121.03 50.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.147 0.499 . . . . 0.0 110.8 179.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 44.0 p90 . . . . . 0 C--O 1.219 -0.525 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.338 179.871 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.249 0 N-CA-C 109.49 -1.444 . . . . 0.0 109.49 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 66.5 m -67.81 146.15 53.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.906 0.384 . . . . 0.0 110.678 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 30.4 t60 49.39 37.42 11.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.626 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 13.2 mtp -139.65 -171.93 3.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.427 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.4 mmm -129.11 150.38 50.52 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-O 121.44 0.638 . . . . 0.0 110.652 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.442 ' O ' ' CB ' ' A' ' 3' ' ' THR . . . -57.3 140.8 48.95 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.446 -179.74 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.442 ' CB ' ' O ' ' A' ' 2' ' ' ALA . 0.3 OUTLIER 78.48 -36.94 0.2 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.576 -179.908 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.2 m -70.13 -28.54 65.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.527 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 57.9 p30 -94.48 16.73 14.57 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.937 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 59.8 t -105.54 125.54 60.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.985 0.421 . . . . 0.0 110.407 -179.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -108.01 158.98 32.18 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.69 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -54.8 155.05 18.91 Favored 'Trans proline' 0 C--N 1.306 -1.7 0 C-N-CA 122.878 2.385 . . . . 0.0 112.145 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 33.6 tptt -87.96 -42.89 12.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.733 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 49.6 m -162.27 171.26 17.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.062 0.458 . . . . 0.0 110.679 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.1 mp -130.87 128.69 63.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.333 179.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.7 m -123.34 178.42 5.15 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.364 -179.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.48 135.47 53.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.838 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.569 ' HB2' HD12 ' A' ' 21' ' ' ILE . . . -66.28 152.87 44.02 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.728 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.2 ttpm? -95.19 -40.64 9.48 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 120.784 0.326 . . . . 0.0 111.0 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -147.29 150.36 34.64 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.616 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.464 ' N ' HG21 ' A' ' 80' ' ' VAL . 53.4 t90 -53.28 135.69 38.13 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.53 -179.629 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 m -163.33 161.49 24.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.538 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -46.7 -35.36 5.98 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.403 -179.612 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -66.65 -43.76 83.74 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.354 179.299 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.569 HD12 ' HB2' ' A' ' 14' ' ' ALA . 4.6 mm -71.02 -59.18 3.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 -179.411 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.411 ' CD ' ' N ' ' A' ' 23' ' ' ASN . 3.5 tm-20 -40.33 -51.49 2.77 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 123.418 0.449 . . . . 0.0 110.609 -179.056 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.411 ' N ' ' CD ' ' A' ' 22' ' ' GLU . 1.7 t30 -60.22 -49.25 78.36 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.335 -179.581 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.813 ' CD1' HG13 ' A' ' 85' ' ' VAL . 76.9 mt -58.2 -41.45 84.03 Favored 'General case' 0 CA--C 1.512 -0.493 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.295 -179.336 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -58.83 -49.61 77.07 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.222 178.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.535 ' NH1' ' O ' ' A' ' 56' ' ' VAL . 94.6 mtt180 -61.3 -46.11 91.66 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-O 121.421 0.629 . . . . 0.0 109.869 -179.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.428 ' CE2' ' C ' ' A' ' 34' ' ' ASP . 7.8 m-85 -63.35 -50.26 70.65 Favored 'General case' 0 C--N 1.321 -0.655 0 O-C-N 121.63 -0.669 . . . . 0.0 110.883 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -57.67 -47.28 82.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.829 -179.44 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.479 ' HG3' ' O ' ' A' ' 26' ' ' ARG . 1.9 pp0? -62.48 -23.61 67.02 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.112 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.36 -16.87 31.85 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.988 -179.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 101.46 0.92 53.47 Favored Glycine 0 CA--C 1.528 0.897 0 N-CA-C 111.445 -0.662 . . . . 0.0 111.445 -179.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.525 ' CE1' ' O ' ' A' ' 60' ' ' GLN . 2.8 m-85 -97.56 148.54 23.16 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 -178.762 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.542 ' NH1' HH12 ' A' ' 62' ' ' ARG . 0.0 OUTLIER -83.13 -40.56 19.61 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.737 -179.8 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.576 ' OD2' HD12 ' A' ' 36' ' ' ILE . 10.1 p-10 -169.97 179.31 3.64 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.384 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.487 ' HB3' ' HZ3' ' A' ' 39' ' ' LYS . 96.0 mt-10 -45.75 -31.35 1.97 Allowed 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.785 -179.081 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.576 HD12 ' OD2' ' A' ' 34' ' ' ASP . 86.7 mt -56.54 -48.13 80.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 C-N-CA 120.672 -0.411 . . . . 0.0 111.315 -179.176 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -68.35 -41.4 80.74 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.884 -0.327 . . . . 0.0 111.145 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.591 ' CD2' HD21 ' A' ' 59' ' ' LEU . 1.9 t80 -57.27 -50.14 73.86 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 119.979 -0.688 . . . . 0.0 111.003 -178.132 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.556 ' O ' ' N ' ' A' ' 43' ' ' GLN . 63.4 mttp -62.94 -40.89 99.04 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.527 -179.084 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -61.34 -45.32 94.89 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.394 -179.229 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.437 HG21 ' CE2' ' A' ' 32' ' ' TYR . 49.0 t -59.56 -44.0 92.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.577 -179.439 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.431 ' O ' HG13 ' A' ' 44' ' ' VAL . 19.5 mmtp -97.66 1.08 48.26 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.127 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.556 ' N ' ' O ' ' A' ' 39' ' ' LYS . 26.1 mt-30 47.57 50.55 14.9 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.959 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.431 HG13 ' O ' ' A' ' 42' ' ' LYS . 18.7 m -119.2 -170.32 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.366 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -146.51 31.27 0.99 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.714 -179.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 21.9 ptt? -162.05 145.04 11.75 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.692 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.509 HG13 ' HE2' ' A' ' 38' ' ' TYR . 39.5 t -118.79 131.02 72.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.236 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -71.84 127.39 32.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.457 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.467 ' CZ ' ' O ' ' A' ' 54' ' ' GLY . 33.1 mtp180 -142.72 167.05 23.01 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.411 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.524 ' O ' ' N ' ' A' ' 54' ' ' GLY . 77.0 m95 -97.79 138.5 21.03 Favored Pre-proline 0 C--O 1.217 -0.651 0 C-N-CA 120.119 -0.632 . . . . 0.0 110.801 -179.582 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -64.65 -27.58 60.82 Favored 'Trans proline' 0 C--N 1.303 -1.833 0 C-N-CA 122.439 2.093 . . . . 0.0 112.579 -179.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -55.07 -51.85 65.06 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.737 -178.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.445 ' HG1' ' HD2' ' A' ' 55' ' ' TYR . 20.1 p -122.72 -28.72 4.12 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.012 179.478 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 50' ' ' TRP . . . 89.5 22.18 38.08 Favored Glycine 0 N--CA 1.463 0.441 0 C-N-CA 120.605 -0.807 . . . . 0.0 111.516 -179.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.445 ' HD2' ' HG1' ' A' ' 53' ' ' THR . 30.2 m-85 -82.59 157.87 23.28 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.936 -0.305 . . . . 0.0 110.774 179.649 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.535 ' O ' ' NH1' ' A' ' 26' ' ' ARG . 57.4 t -56.23 125.34 11.6 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.132 -179.291 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 33.0 tttm -73.63 -46.93 43.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.128 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 61.5 pttt -154.34 153.53 31.81 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.027 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.64 HD13 ' N ' ' A' ' 60' ' ' GLN . 0.2 OUTLIER -148.14 130.95 16.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.932 179.617 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.64 ' N ' HD13 ' A' ' 59' ' ' LEU . 30.6 tt0 -78.28 133.81 37.61 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.048 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 21.8 mtm180 -76.9 166.83 22.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.064 -179.424 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.542 HH12 ' NH1' ' A' ' 33' ' ' ARG . 11.8 ttt180 -67.0 -7.46 22.66 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.368 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -98.78 7.79 45.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.925 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 72.36 36.33 1.06 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.597 0.237 . . . . 0.0 111.227 179.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 32.2 p -120.49 130.7 54.39 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.071 179.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -79.42 123.05 27.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.554 -179.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -119.19 123.25 43.88 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.341 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -88.98 132.91 34.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.434 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.452 ' OH ' ' NE2' ' A' ' 29' ' ' GLN . 73.9 m-85 -103.15 157.73 16.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.843 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.458 HD21 ' HB2' ' A' ' 72' ' ' GLU . 5.5 t30 -99.06 118.93 36.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.997 179.422 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.1 pttm -55.19 -32.02 61.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.996 0.427 . . . . 0.0 110.625 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.458 ' HB2' HD21 ' A' ' 70' ' ' ASN . 99.2 mt-10 -82.52 57.66 3.81 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 179.562 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.515 ' HG2' HH21 ' A' ' 26' ' ' ARG . 0.0 OUTLIER -31.69 136.47 0.06 Allowed 'General case' 0 C--O 1.231 0.096 0 O-C-N 123.666 0.604 . . . . 0.0 111.091 -179.583 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -118.01 34.75 5.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.811 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.442 ' SG ' ' CD1' ' A' ' 17' ' ' TRP . 0.0 OUTLIER -89.73 147.97 23.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.388 179.694 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.429 ' N ' ' SG ' ' A' ' 75' ' ' CYS . 99.0 mt-10 -129.65 173.7 10.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.735 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.43 ' OD1' ' ND1' ' A' ' 81' ' ' HIS . 60.7 t0 -45.71 -23.41 0.25 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.288 -179.576 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.4 ttpp -67.64 -33.03 74.15 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.951 179.405 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.699 ' O ' HG23 ' A' ' 83' ' ' VAL . 1.8 mp0 -81.4 -35.21 31.0 Favored 'General case' 0 C--O 1.219 -0.541 0 CA-C-O 121.153 0.501 . . . . 0.0 110.666 179.757 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.464 HG21 ' N ' ' A' ' 17' ' ' TRP . 33.7 t -61.58 -43.28 96.72 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 C-N-CA 120.246 -0.582 . . . . 0.0 110.112 -179.364 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.43 ' ND1' ' OD1' ' A' ' 77' ' ' ASP . 35.2 m80 -66.51 -44.12 83.4 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.48 -21.86 55.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.951 0.405 . . . . 0.0 111.186 179.723 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.699 HG23 ' O ' ' A' ' 79' ' ' GLU . 54.6 t -82.35 136.55 22.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.136 179.287 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -106.36 157.87 17.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.177 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.813 HG13 ' CD1' ' A' ' 24' ' ' LEU . 31.6 t -127.15 120.28 54.91 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.135 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -87.05 147.84 25.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.808 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.459 ' O ' HG13 ' A' ' 87' ' ' VAL . 5.0 p -128.75 129.14 68.36 Favored 'Isoleucine or valine' 0 C--O 1.232 0.173 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.462 179.708 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 7.5 p90 . . . . . 0 C--O 1.219 -0.536 0 CA-C-O 118.079 -0.963 . . . . 0.0 110.462 179.73 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.272 0 N-CA-C 109.549 -1.421 . . . . 0.0 109.549 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 40.2 t -62.45 141.25 58.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.712 0.292 . . . . 0.0 110.482 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -60.05 -45.82 91.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.525 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 2.7 ttm -137.34 -78.91 0.39 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.58 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.4 tpt -155.02 128.91 8.71 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.422 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -77.62 146.52 36.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.655 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 67.4 p -70.7 -27.54 64.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.48 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.4 t 62.3 68.62 0.66 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.709 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 57.0 p30 -78.82 166.05 22.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.44 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 76.6 t -119.57 122.58 69.22 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.675 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -88.32 155.48 51.62 Favored Pre-proline 0 N--CA 1.448 -0.53 0 C-N-CA 120.564 -0.454 . . . . 0.0 110.606 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_exo -55.47 156.46 17.64 Favored 'Trans proline' 0 N--CA 1.494 1.513 0 C-N-CA 122.728 2.285 . . . . 0.0 112.255 179.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.8 ttpp -84.55 -33.28 23.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.405 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.5 m -171.58 177.71 3.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.737 -179.291 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.7 mp -133.99 131.7 55.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.007 179.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.6 t -124.37 -179.7 4.57 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.522 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 -114.82 134.23 55.3 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.064 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.52 152.1 26.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.533 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.447 ' C ' HG11 ' A' ' 80' ' ' VAL . 69.4 mttt -100.64 -42.98 6.31 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.808 -179.013 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -147.41 150.34 34.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.715 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.741 ' CD2' ' NH1' ' A' ' 73' ' ' ARG . 61.0 t90 -52.73 135.62 34.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.815 179.777 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -164.41 161.41 21.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.358 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -48.68 -37.47 18.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.513 -179.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -68.31 -43.94 76.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.855 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.403 ' N ' HD13 ' A' ' 21' ' ' ILE . 8.1 mm -70.94 -60.25 2.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.273 -179.603 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.51 ' OE1' ' CZ ' ' A' ' 55' ' ' TYR . 88.2 tt0 -40.46 -47.99 2.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.268 -179.383 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -61.33 -48.93 79.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.204 179.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.831 ' CD1' HG13 ' A' ' 85' ' ' VAL . 68.3 mt -58.42 -39.27 79.32 Favored 'General case' 0 CA--C 1.512 -0.506 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.739 -179.485 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.599 ' CD2' ' SG ' ' A' ' 75' ' ' CYS . 36.1 t80 -58.39 -50.02 75.17 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.263 178.564 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.519 ' NH2' ' O ' ' A' ' 70' ' ' ASN . 94.0 mtt180 -62.12 -45.58 92.86 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 -179.607 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -60.67 -51.78 67.91 Favored 'General case' 0 CA--C 1.527 0.09 0 CA-C-N 116.493 -0.322 . . . . 0.0 110.319 179.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.549 ' NE2' ' O ' ' A' ' 84' ' ' LYS . 65.1 mt-30 -56.16 -41.63 75.73 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.124 -179.583 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 52.3 mm-40 -60.59 -41.81 95.45 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.753 178.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.514 ' O ' ' N ' ' A' ' 62' ' ' ARG . . . -72.48 -18.4 61.68 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.907 0.384 . . . . 0.0 110.453 179.461 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.433 ' O ' ' NE ' ' A' ' 62' ' ' ARG . . . 105.56 0.22 40.01 Favored Glycine 0 CA--C 1.527 0.817 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.535 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.529 ' CE2' ' O ' ' A' ' 60' ' ' GLN . 13.4 m-85 -95.74 148.88 22.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.078 0.466 . . . . 0.0 110.66 179.729 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.0 -39.13 15.95 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.764 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -166.33 173.62 9.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.699 -179.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -44.12 -30.66 0.79 Allowed 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.954 -179.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 95.0 mt -57.68 -48.72 82.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 C-N-CA 120.737 -0.385 . . . . 0.0 111.063 -178.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.535 ' O ' HG23 ' A' ' 41' ' ' VAL . 53.2 tp10 -69.12 -44.18 72.9 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.932 0.396 . . . . 0.0 111.397 -179.513 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.501 ' CD2' HD11 ' A' ' 59' ' ' LEU . 2.0 t80 -59.54 -49.78 76.45 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-O 121.55 0.691 . . . . 0.0 110.801 -178.269 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.593 ' O ' ' N ' ' A' ' 43' ' ' GLN . 58.1 mtpt -60.06 -38.78 83.84 Favored 'General case' 0 C--O 1.222 -0.345 0 O-C-N 122.083 -0.386 . . . . 0.0 110.618 -178.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -64.21 -39.39 93.88 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.821 0.344 . . . . 0.0 110.455 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 37' ' ' GLU . 64.2 t -59.14 -45.36 92.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.802 -178.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.447 ' HZ1' ' CB ' ' A' ' 60' ' ' GLN . 41.8 mmtm -102.65 -0.28 32.1 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.043 179.726 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.593 ' N ' ' O ' ' A' ' 39' ' ' LYS . 45.4 tt0 46.99 67.63 0.76 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.669 -179.564 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.421 HG22 ' HA ' ' A' ' 39' ' ' LYS . 33.1 m -119.51 -163.5 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.456 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -123.14 -33.87 3.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.733 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.5 mmt -134.92 160.68 37.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.825 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.492 HG13 ' HE2' ' A' ' 38' ' ' TYR . 97.2 t -104.37 142.04 18.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.443 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -74.48 118.45 17.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.935 0.398 . . . . 0.0 110.263 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 25.6 mtp85 -137.54 172.54 12.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.295 -179.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.4 ' HE1' ' HA ' ' A' ' 57' ' ' LYS . 73.8 m95 -101.53 143.01 25.75 Favored Pre-proline 0 C--O 1.221 -0.422 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.033 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -66.7 -26.79 45.47 Favored 'Trans proline' 0 C--N 1.303 -1.853 0 C-N-CA 122.506 2.137 . . . . 0.0 112.395 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.424 ' HG2' HG23 ' A' ' 53' ' ' THR . 33.7 tt0 -54.48 -53.46 54.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.971 -178.31 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.53 ' OG1' ' CD2' ' A' ' 55' ' ' TYR . 75.1 p -125.17 -32.09 3.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.954 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 97.43 25.25 11.13 Favored Glycine 0 C--O 1.224 -0.485 0 C-N-CA 120.658 -0.782 . . . . 0.0 111.234 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.53 ' CD2' ' OG1' ' A' ' 53' ' ' THR . 23.1 m-85 -85.51 161.78 19.21 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-O 120.604 0.24 . . . . 0.0 110.641 179.372 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.44 HG11 HD13 ' A' ' 59' ' ' LEU . 38.9 t -63.42 125.59 20.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.482 -178.516 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.4 ' HA ' ' HE1' ' A' ' 50' ' ' TRP . 75.5 tttt -78.26 -51.21 10.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.679 179.521 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 63.5 pttt -137.88 143.83 41.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.116 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.501 HD11 ' CD2' ' A' ' 38' ' ' TYR . 9.1 tp -147.9 128.27 13.95 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.529 ' O ' ' CE2' ' A' ' 32' ' ' TYR . 24.6 tt0 -80.78 132.65 35.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.693 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 7.3 mtm180 -76.96 166.79 22.85 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.8 -179.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.514 ' N ' ' O ' ' A' ' 30' ' ' ALA . 7.7 mtt-85 -65.58 -7.0 12.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.491 179.629 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.418 ' O ' ' CB ' ' A' ' 64' ' ' ASN . 96.5 m-20 -99.07 6.76 46.43 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.693 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.418 ' CB ' ' O ' ' A' ' 63' ' ' ASP . 2.5 m-20 78.27 -2.74 2.38 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-O 120.884 0.373 . . . . 0.0 110.639 179.758 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 23.9 p -81.01 127.64 32.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.404 179.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -76.12 127.97 34.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.469 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -125.68 116.89 22.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.297 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -81.84 139.06 34.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.419 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -108.55 157.96 17.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.835 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.519 ' O ' ' NH2' ' A' ' 26' ' ' ARG . 2.3 p-10 -99.76 138.76 36.4 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.686 179.649 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 40.1 pttt -82.38 -11.64 58.43 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.82 179.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.808 ' O ' ' O ' ' A' ' 73' ' ' ARG . 96.6 mt-10 -85.04 58.71 5.19 Favored 'General case' 0 CA--C 1.509 -0.6 0 CA-C-O 118.956 -0.545 . . . . 0.0 110.952 -178.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.808 ' O ' ' O ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER 35.58 127.64 0.0 OUTLIER 'General case' 0 N--CA 1.447 -0.604 0 O-C-N 124.259 0.974 . . . . 0.0 111.019 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.416 ' N ' ' HD2' ' A' ' 73' ' ' ARG . 1.0 OUTLIER -127.06 -24.58 3.42 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.686 177.89 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.599 ' SG ' ' CD2' ' A' ' 25' ' ' TYR . 69.4 m -79.66 130.07 35.03 Favored 'General case' 0 C--O 1.215 -0.746 0 CA-C-O 120.991 0.424 . . . . 0.0 111.649 -179.484 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.48 ' O ' ' N ' ' A' ' 79' ' ' GLU . 62.2 mm-40 -116.02 165.61 12.92 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.639 179.641 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -44.38 -31.56 1.09 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.323 -179.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -63.47 -31.43 72.59 Favored 'General case' 0 C--O 1.24 0.603 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.75 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.683 ' O ' HG23 ' A' ' 83' ' ' VAL . 47.4 mp0 -78.21 -35.72 48.16 Favored 'General case' 0 C--O 1.213 -0.847 0 CA-C-O 121.164 0.506 . . . . 0.0 110.692 179.404 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.7 HG21 ' N ' ' A' ' 17' ' ' TRP . 55.3 t -57.07 -47.17 84.18 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.914 0 C-N-CA 120.178 -0.609 . . . . 0.0 110.139 179.604 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 16.6 t-160 -62.02 -46.92 87.08 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.385 -0.526 . . . . 0.0 111.862 -178.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -77.9 -25.06 48.26 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.675 -0.41 . . . . 0.0 111.821 -179.748 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.683 HG23 ' O ' ' A' ' 79' ' ' GLU . 24.0 t -71.26 132.19 33.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.26 -179.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.549 ' O ' ' NE2' ' A' ' 28' ' ' GLN . 29.8 mtmm -109.51 123.73 49.88 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.969 179.157 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.831 HG13 ' CD1' ' A' ' 24' ' ' LEU . 21.8 t -95.64 121.18 45.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.918 0.39 . . . . 0.0 110.656 -179.029 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.501 ' CD1' ' O ' ' A' ' 86' ' ' TYR . 0.4 OUTLIER -81.77 149.7 28.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.595 -179.931 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 8.8 m -126.27 137.4 57.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.656 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 50.4 p90 . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 117.911 -1.042 . . . . 0.0 110.512 179.755 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . 0.484 ' C ' ' H ' ' A' ' -1' ' ' HIS . . . . . . . . 0 N--CA 1.49 2.295 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 1.4 t 68.31 -8.49 0.58 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.822 0.344 . . . . 0.0 110.663 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . 0.484 ' H ' ' C ' ' A' ' -3' ' ' GLY . 86.4 t60 -62.25 -44.49 96.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.667 179.574 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 8.4 ttm -41.79 113.84 0.47 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.77 -179.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ptt? -158.64 158.83 34.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.608 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.593 ' O ' ' C ' ' A' ' 3' ' ' THR . . . -62.73 139.08 58.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.148 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.593 ' C ' ' O ' ' A' ' 2' ' ' ALA . 0.1 OUTLIER -11.96 -87.2 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.229 0 O-C-N 124.238 0.961 . . . . 0.0 111.02 -179.756 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.507 ' N ' ' OG1' ' A' ' 3' ' ' THR . 50.1 m -131.51 32.92 4.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.673 179.097 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.562 ' O ' ' HB3' ' A' ' 2' ' ' ALA . 24.8 m-20 -135.42 166.91 22.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.638 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 96.0 t -116.59 125.78 73.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.542 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -111.33 150.25 41.79 Favored Pre-proline 0 C--N 1.332 -0.189 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.584 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -65.3 140.51 64.54 Favored 'Trans proline' 0 C--N 1.307 -1.616 0 C-N-CA 122.71 2.274 . . . . 0.0 112.173 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.21 -24.52 13.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.625 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 72.1 m -167.62 174.63 7.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.658 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.3 mp -135.69 134.87 51.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.79 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 20.6 t -115.48 178.57 4.25 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.451 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.43 127.56 55.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.676 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.55 146.71 53.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.553 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.749 ' C ' HG11 ' A' ' 80' ' ' VAL . 8.5 mmtm -103.88 -40.74 6.12 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.158 179.554 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.895 ' CD ' ' H ' ' A' ' 17' ' ' TRP . 0.4 OUTLIER -125.86 175.2 7.82 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.115 178.899 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.895 ' H ' ' CD ' ' A' ' 16' ' ' LYS . 64.4 t90 -95.89 131.96 41.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.207 178.645 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 21' ' ' ILE . 50.4 m -159.97 159.84 32.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.754 179.59 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.2 pt-20 -44.13 -28.37 0.49 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.231 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -68.22 -44.0 76.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.384 179.23 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.423 ' N ' ' O ' ' A' ' 18' ' ' SER . 8.4 mm -72.44 -60.95 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.283 -0.417 . . . . 0.0 109.898 -179.423 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.47 ' CD ' ' N ' ' A' ' 23' ' ' ASN . 2.3 tm-20 -39.87 -51.13 2.46 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.589 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.47 ' N ' ' CD ' ' A' ' 22' ' ' GLU . 1.5 t30 -58.15 -49.63 76.31 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.031 -179.356 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.761 ' CD1' HG13 ' A' ' 85' ' ' VAL . 75.9 mt -57.82 -40.92 81.13 Favored 'General case' 0 CA--C 1.513 -0.468 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.476 -179.577 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -59.32 -49.15 78.95 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 178.347 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.733 ' HE ' HH12 ' A' ' 73' ' ' ARG . 95.0 mtt180 -61.48 -47.22 86.65 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.0 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -61.29 -50.48 72.83 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-O 120.858 0.361 . . . . 0.0 110.568 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -57.08 -41.7 79.3 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.884 -179.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.462 ' O ' ' NH1' ' A' ' 62' ' ' ARG . 80.4 mm-40 -61.37 -39.8 91.96 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.809 0.338 . . . . 0.0 110.489 178.509 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.16 -16.33 61.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.367 179.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 102.89 7.31 44.63 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.561 -0.615 . . . . 0.0 111.561 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.615 ' CE1' HG21 ' A' ' 41' ' ' VAL . 15.3 m-85 -108.6 151.51 26.03 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.818 0.342 . . . . 0.0 110.507 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.04 -39.02 16.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.114 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -170.61 179.87 3.15 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.507 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -40.8 -36.18 0.59 Allowed 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.376 -179.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 94.4 mt -48.01 -62.3 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 C-N-CA 120.789 -0.364 . . . . 0.0 111.375 -179.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.597 ' O ' HG23 ' A' ' 41' ' ' VAL . 1.1 tm-20 -65.03 -48.37 74.09 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.861 -0.335 . . . . 0.0 111.58 -179.126 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.448 ' C ' ' CD1' ' A' ' 38' ' ' TYR . 1.7 t80 -53.21 -51.17 63.0 Favored 'General case' 0 N--CA 1.444 -0.733 0 C-N-CA 120.098 -0.641 . . . . 0.0 110.779 -177.602 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.604 ' O ' ' N ' ' A' ' 43' ' ' GLN . 29.3 mttp -61.73 -42.41 98.93 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 120.891 -0.323 . . . . 0.0 110.773 -179.621 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -62.19 -40.7 96.94 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.934 -179.402 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.615 HG21 ' CE1' ' A' ' 32' ' ' TYR . 76.6 t -60.11 -46.23 94.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.958 -178.709 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.57 ' O ' HG13 ' A' ' 44' ' ' VAL . 64.8 mmtt -103.95 7.52 36.7 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.853 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.604 ' N ' ' O ' ' A' ' 39' ' ' LYS . 94.0 mt-30 44.73 54.73 6.42 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.609 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.57 HG13 ' O ' ' A' ' 42' ' ' LYS . 18.9 m -125.26 -170.6 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.621 -179.749 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -142.97 -36.44 0.38 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 29.7 mmm -95.08 129.32 42.21 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.147 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.0 t -107.89 134.97 48.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.284 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -71.49 123.43 22.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.811 0.339 . . . . 0.0 110.488 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.53 ' NE ' ' O ' ' A' ' 54' ' ' GLY . 33.2 mtp180 -141.76 164.29 30.6 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.478 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.476 ' O ' ' N ' ' A' ' 54' ' ' GLY . 75.0 m95 -93.86 139.21 22.61 Favored Pre-proline 0 C--O 1.223 -0.313 0 C-N-CA 120.463 -0.495 . . . . 0.0 110.945 -179.691 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -64.25 -29.57 64.15 Favored 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 122.587 2.191 . . . . 0.0 112.546 -179.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -49.68 -50.8 42.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.418 -178.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.518 ' OG1' ' CD2' ' A' ' 55' ' ' TYR . 21.3 p -128.47 -31.69 2.25 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.978 179.547 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.53 ' O ' ' NE ' ' A' ' 49' ' ' ARG . . . 97.09 23.71 14.31 Favored Glycine 0 C--O 1.227 -0.317 0 N-CA-C 111.283 -0.727 . . . . 0.0 111.283 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.518 ' CD2' ' OG1' ' A' ' 53' ' ' THR . 28.9 m-85 -81.58 158.53 24.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.627 0.251 . . . . 0.0 110.563 179.644 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.559 HG11 HD13 ' A' ' 59' ' ' LEU . 48.5 t -59.68 124.71 14.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.836 -179.386 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 44.0 tttm -75.92 -47.02 26.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.055 179.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -145.26 145.79 31.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.234 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.559 HD13 HG11 ' A' ' 56' ' ' VAL . 7.2 tp -146.36 127.01 14.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.969 0.414 . . . . 0.0 110.648 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -81.47 132.88 35.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.419 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.415 ' HE ' ' HB2' ' A' ' 67' ' ' PHE . 7.9 mtt180 -75.3 171.54 14.02 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.221 0.534 . . . . 0.0 110.706 -179.514 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.676 ' H ' ' CD ' ' A' ' 62' ' ' ARG . 0.1 OUTLIER -68.22 -11.27 59.03 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.349 179.029 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -94.97 8.37 43.07 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.652 -179.071 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 18.3 m-20 70.41 37.43 1.54 Allowed 'General case' 0 C--N 1.329 -0.288 0 O-C-N 123.535 0.522 . . . . 0.0 110.839 179.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 21.6 p -118.69 126.53 52.11 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.649 179.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -73.65 120.16 18.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.334 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.415 ' HB2' ' HE ' ' A' ' 61' ' ' ARG . 50.3 t80 -119.85 118.02 29.68 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.299 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -82.12 137.03 35.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.49 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -107.71 152.11 24.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.864 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.447 ' O ' ' NH2' ' A' ' 26' ' ' ARG . 8.9 t30 -94.21 125.81 39.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.994 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.407 ' O ' ' N ' ' A' ' 73' ' ' ARG . 21.6 pttm -68.08 -33.13 73.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.33 0.586 . . . . 0.0 110.614 179.265 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 73' ' ' ARG . 90.7 mt-10 -71.57 58.3 0.29 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.88 179.66 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.733 HH12 ' HE ' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -33.35 138.09 0.07 Allowed 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.529 -179.734 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -134.57 38.73 3.06 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 179.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 92.9 m -89.5 149.68 22.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.458 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -132.5 177.08 7.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.718 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -47.76 -21.48 0.4 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.058 -179.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -66.61 -34.59 78.21 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.781 179.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.666 ' O ' HG23 ' A' ' 83' ' ' VAL . 0.5 OUTLIER -79.72 -32.66 41.25 Favored 'General case' 0 C--O 1.22 -0.499 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.446 -179.607 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.749 HG11 ' C ' ' A' ' 15' ' ' LYS . 72.5 t -60.71 -46.39 96.01 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 C-N-CA 120.357 -0.537 . . . . 0.0 110.369 179.609 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 60.7 t-80 -65.42 -45.99 81.74 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -178.029 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.02 -20.4 59.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.74 -179.536 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 79' ' ' GLU . 73.8 t -89.1 134.62 27.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.899 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -105.32 160.2 15.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.169 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.761 HG13 ' CD1' ' A' ' 24' ' ' LEU . 8.5 t -124.92 117.75 51.1 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.111 0 CA-C-O 120.857 0.36 . . . . 0.0 110.374 -179.471 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.585 ' CD1' ' O ' ' A' ' 86' ' ' TYR . 0.4 OUTLIER -75.09 144.1 43.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.489 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.6 m -128.39 126.8 66.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.048 0.452 . . . . 0.0 110.818 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 38.4 p90 . . . . . 0 C--O 1.221 -0.418 0 CA-C-O 117.978 -1.01 . . . . 0.0 110.421 179.756 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.344 0 N-CA-C 109.534 -1.426 . . . . 0.0 109.534 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . 0.408 ' O ' ' SD ' ' A' ' 0' ' ' MET . 16.1 m 42.28 -134.01 0.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.84 0.352 . . . . 0.0 110.509 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 58.7 m170 -79.37 150.09 31.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.475 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . 0.408 ' SD ' ' O ' ' A' ' -2' ' ' SER . 2.6 mpt? -126.45 -89.85 0.55 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.58 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.0 mtt -132.74 156.54 46.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.661 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.499 ' C ' ' H ' ' A' ' 4' ' ' SER . . . -57.49 127.6 32.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.558 -179.608 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.407 ' O ' ' O ' ' A' ' 4' ' ' SER . 47.8 p 49.14 9.95 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.776 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.499 ' H ' ' C ' ' A' ' 2' ' ' ALA . 23.2 t 38.71 -157.77 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.511 -179.788 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -136.11 98.47 3.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.374 179.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 85.1 t -118.33 130.08 73.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.795 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.4 mmtm -63.66 154.2 81.0 Favored Pre-proline 0 N--CA 1.45 -0.436 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.617 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -54.89 152.42 29.11 Favored 'Trans proline' 0 C--N 1.31 -1.464 0 C-N-CA 122.553 2.169 . . . . 0.0 112.266 -179.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 39.5 tttm -89.38 -43.16 11.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.295 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.8 m -164.02 172.35 13.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.769 -179.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.1 mp -133.37 123.22 46.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.353 179.196 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.9 m -135.39 137.14 42.02 Favored 'General case' 0 C--O 1.219 -0.533 0 C-N-CA 121.102 -0.239 . . . . 0.0 111.002 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -71.88 153.34 41.94 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.42 0.629 . . . . 0.0 109.891 -178.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.442 ' HB2' HD12 ' A' ' 21' ' ' ILE . . . -78.23 159.71 28.35 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.204 -179.358 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.81 -40.98 12.11 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 120.625 0.25 . . . . 0.0 110.417 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.41 ' CA ' HG11 ' A' ' 80' ' ' VAL . 15.1 tptt -133.52 -173.68 3.29 Favored 'General case' 0 C--O 1.226 -0.132 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.094 179.657 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.53 ' NE1' ' OE1' ' A' ' 22' ' ' GLU . 49.9 t90 -96.59 127.96 43.07 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.122 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 21.3 m -154.94 156.42 36.04 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.528 179.195 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -45.12 -28.99 0.82 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.314 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.48 ' OE1' ' N ' ' A' ' 20' ' ' GLU . 49.3 mp0 -69.58 -44.97 69.72 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.064 179.201 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.562 ' N ' HD13 ' A' ' 21' ' ' ILE . 3.9 mm -72.52 -60.97 1.9 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.387 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.31 -179.199 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.544 ' CG ' ' NE ' ' A' ' 73' ' ' ARG . 4.0 tp10 -46.73 -46.37 20.24 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.388 -178.49 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -56.82 -49.9 74.0 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.58 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.803 ' CD1' HG13 ' A' ' 85' ' ' VAL . 75.2 mt -55.79 -39.95 72.0 Favored 'General case' 0 C--O 1.215 -0.729 0 C-N-CA 120.459 -0.496 . . . . 0.0 110.155 -179.589 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 93.1 t80 -63.3 -47.22 83.18 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.844 0.354 . . . . 0.0 110.247 178.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.452 ' O ' ' HG3' ' A' ' 29' ' ' GLN . 87.1 mtt180 -60.63 -46.86 88.71 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.329 -179.307 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.465 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 24.9 m-85 -69.94 -46.57 65.04 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.932 0.396 . . . . 0.0 110.769 179.378 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -51.99 -50.62 60.95 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.833 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.452 ' HG3' ' O ' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -55.43 -18.59 7.23 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.115 0.483 . . . . 0.0 110.255 179.748 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 27' ' ' PHE . . . -89.81 -17.99 27.11 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.9 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.528 ' O ' ' NH2' ' A' ' 62' ' ' ARG . . . 106.35 3.11 38.28 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.652 -0.579 . . . . 0.0 111.652 -179.758 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.642 ' CE1' HG21 ' A' ' 41' ' ' VAL . 31.0 m-85 -105.75 146.27 30.04 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 120.954 0.407 . . . . 0.0 110.966 179.614 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.462 ' CD ' ' H ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -81.18 -35.01 31.93 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.296 179.795 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.483 ' OD2' HD12 ' A' ' 36' ' ' ILE . 46.6 p30 -157.0 166.53 33.09 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-O 121.044 0.449 . . . . 0.0 110.511 179.645 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -51.33 -27.89 10.82 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.845 -179.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.483 HD12 ' OD2' ' A' ' 34' ' ' ASP . 93.4 mt -58.25 -47.99 86.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.688 -178.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 33.2 tp10 -65.52 -38.88 90.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.93 0.395 . . . . 0.0 110.397 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.589 ' CD1' HD11 ' A' ' 59' ' ' LEU . 22.6 t80 -60.54 -47.49 85.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.586 179.379 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.566 ' O ' ' N ' ' A' ' 43' ' ' GLN . 98.3 mttt -60.23 -39.45 86.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.964 -178.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.411 ' O ' ' OE1' ' A' ' 43' ' ' GLN . 0.9 OUTLIER -61.45 -42.55 98.94 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.163 0.506 . . . . 0.0 110.45 -179.753 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.642 HG21 ' CE1' ' A' ' 32' ' ' TYR . 79.4 t -62.7 -42.54 96.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.155 -179.473 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.7 mmtt -96.37 -0.02 49.97 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.292 179.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.566 ' N ' ' O ' ' A' ' 39' ' ' LYS . 30.0 mm100 41.89 50.9 4.17 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.618 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.555 ' O ' ' HB2' ' A' ' 45' ' ' ALA . 8.0 m -102.26 -112.87 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.898 0.38 . . . . 0.0 110.749 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.555 ' HB2' ' O ' ' A' ' 44' ' ' VAL . . . 170.65 -24.89 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.666 -179.718 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.444 ' SD ' ' C ' ' A' ' 46' ' ' MET . 3.6 ppp? -141.67 152.02 43.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.319 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 19.4 t -109.44 136.6 44.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.299 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -61.86 129.45 41.02 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.542 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 91.1 mtt-85 -140.96 159.16 42.8 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.987 -179.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.541 ' O ' ' N ' ' A' ' 54' ' ' GLY . 67.9 m95 -92.55 138.13 24.06 Favored Pre-proline 0 C--O 1.216 -0.7 0 C-N-CA 120.222 -0.591 . . . . 0.0 110.635 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -64.11 -33.21 62.26 Favored 'Trans proline' 0 C--N 1.3 -2.008 0 C-N-CA 122.366 2.044 . . . . 0.0 112.49 -179.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -51.67 -50.56 60.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.233 -178.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 13.1 p -123.05 -30.02 3.82 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.816 0.341 . . . . 0.0 111.469 179.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.541 ' N ' ' O ' ' A' ' 50' ' ' TRP . . . 89.49 21.62 40.11 Favored Glycine 0 N--CA 1.464 0.541 0 C-N-CA 120.53 -0.843 . . . . 0.0 111.126 -179.679 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -80.56 163.37 23.74 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.621 179.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 75.9 t -60.09 123.51 12.73 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.335 0 O-C-N 123.565 0.54 . . . . 0.0 110.085 -179.62 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.404 ' HA ' ' HE1' ' A' ' 50' ' ' TRP . 38.7 tttm -77.24 -49.51 14.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.956 0.407 . . . . 0.0 110.989 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -150.84 148.98 29.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.75 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.596 HD13 ' N ' ' A' ' 60' ' ' GLN . 0.2 OUTLIER -147.59 129.37 15.21 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.032 179.394 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.596 ' N ' HD13 ' A' ' 59' ' ' LEU . 29.4 tt0 -79.14 134.03 36.72 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.305 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.3 mtm180 -78.47 172.67 13.31 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.604 0.716 . . . . 0.0 110.657 -179.151 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.528 ' NH2' ' O ' ' A' ' 31' ' ' GLY . 8.1 tpp180 -68.79 -11.13 60.04 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.387 179.154 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -95.96 12.37 30.63 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.997 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 64.63 37.94 7.44 Favored 'General case' 0 N--CA 1.454 -0.267 0 O-C-N 123.823 0.702 . . . . 0.0 111.261 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 24.5 p -117.88 126.58 52.64 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.417 179.033 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -72.27 122.97 21.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.414 -179.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -120.18 111.78 18.27 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.106 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -82.3 135.35 35.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.676 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.447 ' OH ' ' CG ' ' A' ' 29' ' ' GLN . 74.8 m-85 -105.55 153.15 22.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.369 179.568 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.63 HD21 ' CB ' ' A' ' 72' ' ' GLU . 42.1 t30 -94.31 112.55 24.35 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.681 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.504 ' HG3' ' N ' ' A' ' 72' ' ' GLU . 60.5 pttt -43.39 -37.26 2.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.118 0.485 . . . . 0.0 110.485 -179.637 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.63 ' CB ' HD21 ' A' ' 70' ' ' ASN . 2.8 tt0 -70.05 151.51 45.44 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 179.769 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.544 ' NE ' ' CG ' ' A' ' 22' ' ' GLU . 0.1 OUTLIER -128.87 141.71 51.2 Favored 'General case' 0 C--N 1.321 -0.635 0 O-C-N 123.809 0.693 . . . . 0.0 112.732 -179.484 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -135.74 38.57 2.83 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 179.009 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.428 ' CB ' ' OE1' ' A' ' 22' ' ' GLU . 32.7 t -87.77 149.24 24.3 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.945 179.636 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -131.46 174.4 10.13 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.358 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.431 ' OD1' ' N ' ' A' ' 78' ' ' LYS . 52.8 p-10 -53.25 -19.56 3.3 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.065 0.46 . . . . 0.0 110.508 -179.722 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.431 ' N ' ' OD1' ' A' ' 77' ' ' ASP . 26.2 mmtm -67.38 -37.91 83.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.82 179.226 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.858 ' O ' HG23 ' A' ' 83' ' ' VAL . 3.8 mm-40 -82.12 -32.16 30.3 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.257 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.41 HG11 ' CA ' ' A' ' 16' ' ' LYS . 84.7 t -58.0 -40.51 77.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.164 0.507 . . . . 0.0 109.844 -179.709 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 55.4 m170 -73.43 -39.37 65.05 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.061 179.274 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.66 -21.43 62.6 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.719 179.484 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.858 HG23 ' O ' ' A' ' 79' ' ' GLU . 92.2 t -87.25 138.44 19.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.468 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -108.32 141.87 39.49 Favored 'General case' 0 C--O 1.225 -0.214 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.564 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.803 HG13 ' CD1' ' A' ' 24' ' ' LEU . 49.3 t -116.62 122.81 70.7 Favored 'Isoleucine or valine' 0 C--O 1.231 0.119 0 CA-C-O 120.98 0.419 . . . . 0.0 110.411 179.733 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.559 ' CD1' ' O ' ' A' ' 86' ' ' TYR . 0.4 OUTLIER -88.0 146.42 25.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.495 179.91 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.529 ' O ' HG13 ' A' ' 87' ' ' VAL . 4.6 p -128.41 125.76 64.46 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.455 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 20.2 p90 . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 118.062 -0.97 . . . . 0.0 110.383 179.771 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.351 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 69.9 m -66.6 141.7 57.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.782 0.325 . . . . 0.0 110.593 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 55.2 p-80 -105.77 6.08 31.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.528 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 24.9 mtt -71.02 99.18 1.76 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.0 mmt -128.42 125.54 38.79 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.584 179.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.38 138.99 30.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.601 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 50.9 p 40.8 -159.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.659 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 62.1 m 53.08 37.64 25.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.534 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -152.33 78.79 1.23 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.401 179.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 85.9 t -117.82 128.29 75.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.615 179.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.479 ' HD2' ' H ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -98.92 155.99 36.01 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.205 -179.811 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -71.2 156.63 58.97 Favored 'Trans proline' 0 N--CA 1.492 1.438 0 C-N-CA 122.487 2.125 . . . . 0.0 112.506 179.511 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.67 -43.66 8.55 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.793 179.301 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 71.3 m -158.01 165.07 36.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.931 -179.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.6 mp -126.91 132.03 70.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.417 179.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 45.8 t -122.95 178.16 5.18 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.478 -179.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.523 HH12 ' C ' ' A' ' 82' ' ' LYS . 26.3 mmt180 -117.64 132.16 56.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.785 179.676 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.47 ' HB2' HD12 ' A' ' 21' ' ' ILE . . . -66.3 152.41 45.02 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.592 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.702 ' H ' ' CD ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -95.16 -38.1 10.74 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.389 -179.644 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.452 ' CG ' ' N ' ' A' ' 17' ' ' TRP . 0.2 OUTLIER -136.88 -171.33 2.91 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 -179.661 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.452 ' N ' ' CG ' ' A' ' 16' ' ' LYS . 65.4 t90 -97.2 127.94 43.62 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.792 179.243 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 21' ' ' ILE . 47.2 t -155.5 156.02 34.48 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.462 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.2 pt-20 -43.76 -29.92 0.59 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.366 -179.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -66.02 -43.05 88.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.515 179.033 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.47 HD12 ' HB2' ' A' ' 14' ' ' ALA . 6.1 mm -72.9 -58.74 4.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 109.889 -179.667 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.462 ' CD ' ' N ' ' A' ' 23' ' ' ASN . 2.3 tm-20 -43.33 -52.15 5.98 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.886 -0.412 . . . . 0.0 109.886 -179.41 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.462 ' N ' ' CD ' ' A' ' 22' ' ' GLU . 2.6 t30 -57.38 -49.43 76.2 Favored 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 120.338 -0.545 . . . . 0.0 110.622 -179.648 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.805 ' CD1' HG13 ' A' ' 85' ' ' VAL . 62.0 mt -57.58 -41.63 81.51 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 119.974 -0.69 . . . . 0.0 109.999 -179.151 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -60.69 -48.79 80.19 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.483 178.458 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.642 ' HE ' ' NH1' ' A' ' 73' ' ' ARG . 95.7 mtt180 -62.15 -45.87 91.48 Favored 'General case' 0 C--O 1.225 -0.222 0 C-N-CA 120.569 -0.453 . . . . 0.0 110.641 -179.203 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -66.31 -47.61 72.98 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.175 -0.61 . . . . 0.0 110.469 -179.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -59.2 -44.19 92.23 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.123 -179.063 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.544 ' NE2' ' OH ' ' A' ' 69' ' ' TYR . 2.3 pp0? -69.78 -22.31 63.35 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.144 -0.622 . . . . 0.0 109.652 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.97 -16.71 43.11 Favored 'General case' 0 N--CA 1.457 -0.103 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.705 179.356 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.495 ' O ' ' NE ' ' A' ' 62' ' ' ARG . . . 107.8 -0.88 33.98 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.538 -0.625 . . . . 0.0 111.538 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.537 ' CD1' ' OE1' ' A' ' 37' ' ' GLU . 2.5 m-85 -110.63 148.85 31.37 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-O 121.176 0.512 . . . . 0.0 110.021 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.79 -35.56 19.07 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.996 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.446 ' CG ' ' H ' ' A' ' 35' ' ' GLU . 39.7 t0 -171.66 -178.37 2.24 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.496 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.446 ' H ' ' CG ' ' A' ' 34' ' ' ASP . 22.8 pt-20 -44.56 -41.72 6.72 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.908 -178.419 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -47.55 -63.69 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.437 -1.095 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.661 -179.304 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.537 ' OE1' ' CD1' ' A' ' 32' ' ' TYR . 13.0 tm-20 -64.33 -40.69 96.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.065 -178.477 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.57 ' CE2' HD11 ' A' ' 59' ' ' LEU . 1.4 t80 -59.64 -51.13 71.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.42 0.629 . . . . 0.0 110.44 -178.193 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.605 ' O ' ' N ' ' A' ' 43' ' ' GLN . 5.4 mtpm? -57.75 -39.57 77.7 Favored 'General case' 0 CA--C 1.509 -0.6 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.657 -178.428 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.436 ' O ' ' OE1' ' A' ' 43' ' ' GLN . 0.7 OUTLIER -60.68 -42.31 96.85 Favored 'General case' 0 C--N 1.319 -0.759 0 C-N-CA 120.609 -0.437 . . . . 0.0 110.655 -179.814 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 74.4 t -59.43 -46.07 93.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.709 -178.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.524 ' O ' HG13 ' A' ' 44' ' ' VAL . 38.7 mmtm -102.65 3.97 37.73 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.834 -0.347 . . . . 0.0 110.89 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.605 ' N ' ' O ' ' A' ' 39' ' ' LYS . 30.1 mm100 47.72 51.3 14.25 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.633 -179.747 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.524 HG13 ' O ' ' A' ' 42' ' ' LYS . 31.9 m -124.75 -172.49 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.479 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -135.33 -34.87 0.84 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.933 -179.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 26.4 ptt? -97.94 147.86 24.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.953 -179.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 47.8 t -116.41 134.79 58.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -72.33 122.36 21.02 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 110.351 -0.24 . . . . 0.0 110.351 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 41.4 mtt180 -140.48 163.89 31.62 Favored 'General case' 0 C--O 1.233 0.218 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.337 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.498 ' O ' ' N ' ' A' ' 54' ' ' GLY . 91.3 m95 -89.86 140.43 27.77 Favored Pre-proline 0 C--O 1.221 -0.406 0 C-N-CA 120.193 -0.603 . . . . 0.0 110.981 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -65.75 -28.71 51.5 Favored 'Trans proline' 0 N--CA 1.499 1.816 0 C-N-CA 122.062 1.841 . . . . 0.0 112.965 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -57.59 -50.41 73.21 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.898 -178.154 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 81.9 p -119.61 -27.82 5.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.74 -179.172 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 50' ' ' TRP . . . 90.45 13.79 59.44 Favored Glycine 0 CA--C 1.524 0.627 0 C-N-CA 120.232 -0.985 . . . . 0.0 111.088 -178.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -84.6 157.09 21.31 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 120.24 -0.584 . . . . 0.0 111.112 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.474 HG11 HD13 ' A' ' 59' ' ' LEU . 38.8 t -57.43 125.97 14.26 Favored 'Isoleucine or valine' 0 C--O 1.232 0.181 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.433 -179.097 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.441 ' CD ' ' CZ2' ' A' ' 50' ' ' TRP . 24.7 ttpp -76.4 -51.37 11.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.124 179.53 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -143.17 145.37 32.75 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.292 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.57 HD11 ' CE2' ' A' ' 38' ' ' TYR . 6.1 tp -146.36 129.84 16.85 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.162 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -80.25 134.09 36.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.664 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 7.4 mtm180 -76.38 171.06 15.2 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.887 -179.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.495 ' NE ' ' O ' ' A' ' 31' ' ' GLY . 7.8 mtt180 -67.85 -9.63 46.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.007 179.302 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -97.88 14.35 27.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.063 -179.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 63.65 38.2 9.64 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-O 120.769 0.318 . . . . 0.0 111.268 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 24.5 p -120.29 130.35 54.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.461 178.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 -73.36 120.85 19.54 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.3 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -118.73 114.47 22.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.123 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -82.88 135.51 34.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.726 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.544 ' OH ' ' NE2' ' A' ' 29' ' ' GLN . 58.8 m-85 -105.31 150.99 24.7 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.653 179.611 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 72' ' ' GLU . 7.7 t30 -93.8 118.05 30.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.189 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.1 ptmm? -59.4 -34.79 72.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.301 179.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.448 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 99.6 mt-10 -74.11 58.25 0.68 Allowed 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.103 -0.639 . . . . 0.0 109.876 179.574 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.642 ' NH1' ' HE ' ' A' ' 26' ' ' ARG . 0.1 OUTLIER -32.14 131.48 0.14 Allowed 'General case' 0 C--O 1.232 0.154 0 O-C-N 123.481 0.488 . . . . 0.0 111.683 -179.06 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -119.96 35.69 4.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.084 179.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.408 ' SG ' ' CD1' ' A' ' 17' ' ' TRP . 0.0 OUTLIER -88.79 145.14 25.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.264 179.704 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.4 ' N ' ' SG ' ' A' ' 75' ' ' CYS . 97.6 mt-10 -127.17 172.62 10.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.349 179.723 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -49.24 -24.64 1.87 Allowed 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.543 -179.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.71 -33.91 76.68 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.915 179.258 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.687 ' O ' HG23 ' A' ' 83' ' ' VAL . 79.5 mm-40 -82.63 -30.35 29.46 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.466 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 77.6 t -58.77 -46.78 90.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.513 ' O ' ' NH1' ' A' ' 13' ' ' ARG . 69.2 m80 -67.67 -40.1 84.47 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.026 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.523 ' C ' HH12 ' A' ' 13' ' ' ARG . 0.1 OUTLIER -70.34 -27.24 64.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.857 0.36 . . . . 0.0 110.68 179.838 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.687 HG23 ' O ' ' A' ' 79' ' ' GLU . 97.6 t -85.96 135.38 25.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.782 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -104.55 157.36 17.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.134 179.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.805 HG13 ' CD1' ' A' ' 24' ' ' LEU . 17.5 t -124.53 120.45 59.03 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.562 ' CD1' ' O ' ' A' ' 86' ' ' TYR . 0.3 OUTLIER -88.42 146.69 25.09 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.953 -179.522 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.9 m -128.8 127.01 65.92 Favored 'Isoleucine or valine' 0 C--O 1.232 0.132 0 CA-C-O 121.124 0.488 . . . . 0.0 110.646 179.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 35.3 p90 . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 117.93 -1.033 . . . . 0.0 110.437 -179.92 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.384 0 N-CA-C 109.466 -1.453 . . . . 0.0 109.466 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 53.08 -169.32 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.814 0.34 . . . . 0.0 110.538 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 26.9 t-80 59.4 38.08 22.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.58 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 7.7 mtm -105.82 -141.13 0.37 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.452 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.4 mtt -109.76 114.14 27.47 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.429 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -70.48 146.4 50.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.716 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.3 m 48.49 33.45 4.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.533 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -150.51 -71.03 0.18 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.718 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 51.82 51.62 16.19 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.756 -0.377 . . . . 0.0 110.849 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 87.4 t -77.38 112.34 15.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.273 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 32.0 mmtm -118.59 152.45 51.2 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.944 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -66.03 158.02 56.46 Favored 'Trans proline' 0 C--N 1.309 -1.542 0 C-N-CA 122.786 2.324 . . . . 0.0 112.002 179.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -103.46 -30.32 10.62 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.671 -179.354 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 41.6 m -159.3 166.14 31.88 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.696 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.2 mp -130.29 131.75 65.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.348 179.298 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 65.3 m -120.57 176.2 5.62 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.589 -179.548 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.6 mmt85 -114.87 131.6 56.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.265 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.568 ' HB3' HG13 ' A' ' 80' ' ' VAL . . . -63.17 146.06 54.16 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.795 -179.524 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.424 ' C ' HG11 ' A' ' 80' ' ' VAL . 95.5 mttt -88.98 -38.97 14.04 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.779 -0.368 . . . . 0.0 111.762 -179.675 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.411 ' C ' HG21 ' A' ' 80' ' ' VAL . 88.3 tttt -149.3 151.04 33.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.434 -179.471 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.719 ' N ' HG21 ' A' ' 80' ' ' VAL . 71.4 t90 -54.34 134.6 45.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.05 -179.175 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -159.49 159.88 34.01 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.102 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -47.62 -31.96 5.07 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.35 -179.07 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -69.46 -39.42 77.76 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.66 178.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.52 ' N ' HD13 ' A' ' 21' ' ' ILE . 3.5 mm -70.74 -58.13 6.08 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.356 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 -178.703 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.474 ' CD ' ' N ' ' A' ' 23' ' ' ASN . 1.7 tm-20 -44.53 -50.61 9.48 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 120.539 -0.464 . . . . 0.0 109.871 -178.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.474 ' N ' ' CD ' ' A' ' 22' ' ' GLU . 2.2 t30 -58.06 -49.07 78.17 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.931 -179.202 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.788 HD13 HG13 ' A' ' 85' ' ' VAL . 54.2 mt -59.59 -40.76 88.5 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.016 -0.673 . . . . 0.0 110.041 -179.432 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -61.27 -49.38 77.31 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.418 178.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.42 ' O ' ' HG3' ' A' ' 29' ' ' GLN . 94.6 mtt180 -61.67 -44.17 97.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.368 0.604 . . . . 0.0 110.02 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.457 ' CE2' ' C ' ' A' ' 34' ' ' ASP . 6.4 m-85 -65.64 -49.07 70.01 Favored 'General case' 0 C--N 1.321 -0.639 0 O-C-N 121.437 -0.789 . . . . 0.0 110.651 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -59.73 -45.85 90.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.48 -179.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.42 ' HG3' ' O ' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -67.0 -21.33 65.95 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.559 -0.456 . . . . 0.0 109.813 179.777 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -89.06 -14.25 36.8 Favored 'General case' 0 CA--C 1.528 0.123 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.624 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 103.3 -4.84 48.41 Favored Glycine 0 CA--C 1.528 0.855 0 N-CA-C 111.325 -0.71 . . . . 0.0 111.325 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.506 ' CE1' HG21 ' A' ' 41' ' ' VAL . 15.3 m-85 -100.16 150.6 22.34 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-O 121.022 0.439 . . . . 0.0 110.078 -179.714 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.98 -38.41 16.64 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.838 -179.336 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.457 ' C ' ' CE2' ' A' ' 27' ' ' PHE . 44.7 t0 -168.69 177.27 5.21 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.536 -179.585 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.428 ' H ' ' CG ' ' A' ' 34' ' ' ASP . 98.5 mt-10 -45.95 -32.08 2.54 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 123.555 0.534 . . . . 0.0 110.939 -179.001 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 93.2 mt -57.84 -48.75 83.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.962 -179.047 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.502 ' O ' HG23 ' A' ' 41' ' ' VAL . 51.1 tp10 -68.71 -42.86 77.1 Favored 'General case' 0 CA--C 1.513 -0.447 0 C-N-CA 120.889 -0.324 . . . . 0.0 111.612 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.531 ' CD2' HD11 ' A' ' 59' ' ' LEU . 1.7 t80 -58.64 -50.19 74.74 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 119.46 -0.896 . . . . 0.0 110.157 -178.028 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.525 ' O ' ' N ' ' A' ' 43' ' ' GLN . 57.7 mttp -59.0 -40.49 85.04 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.727 -179.22 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -62.45 -40.1 95.5 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.702 179.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.506 HG21 ' CE1' ' A' ' 32' ' ' TYR . 60.2 t -58.84 -45.95 91.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.896 -179.27 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.577 ' O ' HG13 ' A' ' 44' ' ' VAL . 43.5 mmtm -100.8 5.72 43.59 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.657 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.525 ' N ' ' O ' ' A' ' 39' ' ' LYS . 0.8 OUTLIER 46.84 53.2 10.62 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.746 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.577 HG13 ' O ' ' A' ' 42' ' ' LYS . 34.1 m -125.24 -171.73 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.447 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -145.93 30.2 1.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.719 -179.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 4.0 mmm -159.89 128.41 4.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.001 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.489 HG13 ' HE2' ' A' ' 38' ' ' TYR . 80.5 t -108.34 130.19 61.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.368 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -71.34 125.48 27.1 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.953 -0.299 . . . . 0.0 110.36 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 35.4 mtt85 -138.1 170.64 15.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.365 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 69.7 m95 -99.25 142.46 24.65 Favored Pre-proline 0 CA--C 1.534 0.332 0 C-N-CA 120.218 -0.593 . . . . 0.0 110.988 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -66.66 -24.24 48.16 Favored 'Trans proline' 0 N--CA 1.497 1.704 0 C-N-CA 122.242 1.961 . . . . 0.0 112.687 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -51.73 -52.64 46.95 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.135 -177.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 23.5 p -130.96 -26.89 2.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.116 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 96.82 27.55 9.5 Favored Glycine 0 CA--C 1.523 0.555 0 C-N-CA 120.417 -0.897 . . . . 0.0 111.559 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -88.75 158.94 18.01 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.39 -0.524 . . . . 0.0 110.627 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 61.0 t -59.34 126.24 16.69 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.07 -178.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 77.2 tttt -79.46 -49.94 11.54 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.712 179.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -138.91 141.59 38.52 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.253 -179.581 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.531 HD11 ' CD2' ' A' ' 38' ' ' TYR . 9.3 tp -147.0 129.0 15.47 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.166 -0.613 . . . . 0.0 110.114 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.519 ' CB ' ' HZ1' ' A' ' 42' ' ' LYS . 29.6 tt0 -79.73 133.87 36.36 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.985 -179.666 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 22.1 mtm180 -76.48 168.97 19.13 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.807 -179.099 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.24 -8.0 28.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.919 179.251 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -98.2 12.49 34.44 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.153 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 63.0 m-20 65.43 37.44 6.19 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.987 0.423 . . . . 0.0 111.507 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 28.1 p -119.93 132.1 55.42 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.494 179.021 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -77.09 121.17 23.19 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 -179.476 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -120.33 116.13 24.92 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.276 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -82.36 132.35 35.22 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.044 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -99.69 156.31 17.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.678 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.544 HD21 ' CB ' ' A' ' 72' ' ' GLU . 47.4 t30 -93.63 115.79 28.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.457 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.46 -22.27 63.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.13 179.533 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.544 ' CB ' HD21 ' A' ' 70' ' ' ASN . 1.0 OUTLIER -80.87 57.11 2.93 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.353 0.597 . . . . 0.0 109.632 179.388 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.592 ' NE ' ' SG ' ' A' ' 75' ' ' CYS . 0.0 OUTLIER -31.86 124.76 0.27 Allowed 'General case' 0 C--N 1.334 -0.089 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.559 -178.914 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.511 ' H ' HH11 ' A' ' 73' ' ' ARG . 7.7 mm-40 -121.73 35.27 4.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.323 0.582 . . . . 0.0 109.864 -179.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.592 ' SG ' ' NE ' ' A' ' 73' ' ' ARG . 87.8 m -88.43 146.73 25.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.842 179.56 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.413 ' C ' ' N ' ' A' ' 78' ' ' LYS . 97.7 mt-10 -132.47 174.51 10.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.766 -179.667 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.421 ' O ' ' OD1' ' A' ' 77' ' ' ASP . 65.5 t0 -46.99 -22.35 0.32 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.047 -179.514 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.506 ' CD ' ' N ' ' A' ' 78' ' ' LYS . 10.9 mptt -65.92 -35.19 79.94 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.659 179.262 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.652 ' O ' HG23 ' A' ' 83' ' ' VAL . 1.0 OUTLIER -78.39 -34.5 48.13 Favored 'General case' 0 C--O 1.216 -0.69 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.95 179.827 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.719 HG21 ' N ' ' A' ' 17' ' ' TRP . 62.2 t -61.32 -45.0 99.48 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 C-N-CA 119.743 -0.783 . . . . 0.0 110.933 179.517 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -63.36 -44.71 94.02 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.982 -0.554 . . . . 0.0 112.02 -178.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.0 -22.41 42.5 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 120.347 -0.541 . . . . 0.0 110.959 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 79' ' ' GLU . 79.7 t -84.71 135.98 23.71 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.836 179.682 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 56.9 pttt -110.12 151.12 27.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.89 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.788 HG13 HD13 ' A' ' 24' ' ' LEU . 46.6 t -120.69 121.56 65.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 10.3 p90 -83.46 143.0 30.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.498 -179.487 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 6.1 m -126.58 131.56 71.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 CA-C-O 121.086 0.469 . . . . 0.0 110.744 179.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 55.7 p90 . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.404 -179.984 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . 0.495 ' O ' ' CE1' ' A' ' -1' ' ' HIS . . . . . . . . 0 N--CA 1.49 2.28 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 67.0 m -68.26 148.66 50.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.666 0.27 . . . . 0.0 110.523 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . 0.495 ' CE1' ' O ' ' A' ' -3' ' ' GLY . 79.8 m80 -128.82 144.58 51.21 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.56 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 12.4 ttt -60.55 -38.05 83.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.472 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.4 mtp -86.43 140.49 29.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.534 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.51 142.34 58.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.426 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 96.9 m -70.44 126.23 29.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.586 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 63.6 p -140.74 18.64 2.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.565 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.418 ' OD1' ' N ' ' A' ' 6' ' ' VAL . 67.0 t0 -59.61 133.71 56.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.346 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.418 ' N ' ' OD1' ' A' ' 5' ' ' ASP . 63.2 t -86.01 124.28 40.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.372 -179.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -88.66 153.08 49.98 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -46.38 162.64 0.13 Allowed 'Trans proline' 0 N--CA 1.49 1.306 0 C-N-CA 122.35 2.033 . . . . 0.0 112.397 179.053 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.8 tptp -92.6 -33.05 14.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.392 179.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 71.1 m -163.69 171.26 15.89 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.853 0.359 . . . . 0.0 110.996 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.7 mp -129.18 134.79 63.32 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.236 179.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.3 t -121.87 178.46 4.86 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.578 -179.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 90.5 mtt-85 -114.32 132.89 56.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.96 179.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.64 144.49 56.21 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.314 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.437 ' C ' HG11 ' A' ' 80' ' ' VAL . 57.8 mmtt -96.64 -41.03 8.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.84 0.352 . . . . 0.0 111.141 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -146.57 148.8 32.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.023 0.44 . . . . 0.0 110.783 -179.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.511 ' N ' HG21 ' A' ' 80' ' ' VAL . 66.5 t90 -53.69 136.25 39.7 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.012 179.471 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.4 p -161.55 163.9 29.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.955 179.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 47.4 mp0 -51.08 -35.81 36.85 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.859 -178.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -67.94 -41.36 82.66 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.648 179.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 7.9 mm -71.21 -58.15 5.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 C-N-CA 120.684 -0.407 . . . . 0.0 110.054 -179.387 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.503 ' OE2' ' NH2' ' A' ' 26' ' ' ARG . 88.6 tt0 -44.04 -48.45 8.86 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -178.233 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -61.49 -48.53 80.64 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.756 179.365 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.786 ' CD1' HG13 ' A' ' 85' ' ' VAL . 52.3 mt -58.88 -39.31 81.04 Favored 'General case' 0 CA--C 1.514 -0.438 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.528 -179.176 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.447 ' CD1' ' C ' ' A' ' 25' ' ' TYR . 15.6 t80 -58.26 -49.69 76.22 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.09 178.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.503 ' NH2' ' OE2' ' A' ' 22' ' ' GLU . 95.7 mtt180 -62.09 -45.76 92.06 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.449 -0.5 . . . . 0.0 110.192 -179.221 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -62.84 -50.37 71.23 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.863 0.363 . . . . 0.0 110.996 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.511 ' NE2' ' O ' ' A' ' 84' ' ' LYS . 74.9 mt-30 -56.91 -40.09 75.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.816 -178.799 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 47.8 mm-40 -62.49 -40.65 97.36 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.172 178.363 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.53 -20.05 61.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.682 179.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 106.59 8.76 32.16 Favored Glycine 0 CA--C 1.522 0.505 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.512 ' CD1' ' OE1' ' A' ' 37' ' ' GLU . 18.9 m-85 -108.91 149.75 28.7 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.184 0.516 . . . . 0.0 110.769 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.696 ' CA ' ' HE ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -88.05 -38.07 15.76 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.78 -179.131 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.4 ' OD2' ' OH ' ' A' ' 86' ' ' TYR . 49.2 p-10 -164.85 174.14 10.93 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.944 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.4 mp0 -45.95 -35.37 4.62 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.369 -178.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 39.9 mm -52.08 -49.75 38.01 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-O 120.955 0.407 . . . . 0.0 110.643 -178.024 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.512 ' OE1' ' CD1' ' A' ' 32' ' ' TYR . 3.8 tm-20 -67.92 -41.57 82.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.652 -179.45 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -59.51 -47.13 86.71 Favored 'General case' 0 CA--C 1.511 -0.524 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.313 179.578 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.515 ' O ' ' N ' ' A' ' 43' ' ' GLN . 58.0 mttp -59.66 -41.97 91.78 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 120.411 -0.516 . . . . 0.0 111.064 -179.069 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 96.2 mm-40 -61.59 -42.77 99.34 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.323 -0.551 . . . . 0.0 110.698 -179.418 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.413 HG21 ' CE1' ' A' ' 32' ' ' TYR . 63.2 t -61.77 -44.79 99.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.757 0.313 . . . . 0.0 111.226 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.722 ' O ' HG13 ' A' ' 44' ' ' VAL . 31.0 mmtp -94.41 2.29 55.78 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.599 -179.402 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.515 ' N ' ' O ' ' A' ' 39' ' ' LYS . 99.0 mt-30 45.91 51.13 10.87 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.817 179.37 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.722 HG13 ' O ' ' A' ' 42' ' ' LYS . 33.1 m -130.68 -178.21 2.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.46 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -133.15 20.64 4.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.87 -179.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.24 137.69 15.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.689 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 16.5 t -110.83 134.73 52.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.964 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -70.17 124.76 24.92 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.547 ' NE ' ' O ' ' A' ' 54' ' ' GLY . 37.4 mtp180 -142.35 165.08 28.4 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.365 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.484 ' O ' ' N ' ' A' ' 54' ' ' GLY . 78.8 m95 -93.44 141.7 24.26 Favored Pre-proline 0 C--O 1.22 -0.459 0 C-N-CA 120.217 -0.593 . . . . 0.0 111.14 -179.423 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -66.24 -27.16 48.67 Favored 'Trans proline' 0 N--CA 1.496 1.676 0 C-N-CA 122.27 1.98 . . . . 0.0 112.764 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -53.7 -50.52 65.7 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.921 -177.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.548 ' OG1' ' CD2' ' A' ' 55' ' ' TYR . 75.5 p -127.4 -26.9 2.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.438 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.547 ' O ' ' NE ' ' A' ' 49' ' ' ARG . . . 92.79 18.84 39.2 Favored Glycine 0 C--O 1.224 -0.48 0 C-N-CA 120.051 -1.071 . . . . 0.0 111.067 -178.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.548 ' CD2' ' OG1' ' A' ' 53' ' ' THR . 24.6 m-85 -82.9 161.46 21.85 Favored 'General case' 0 CA--C 1.516 -0.358 0 C-N-CA 120.268 -0.573 . . . . 0.0 111.149 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.471 ' O ' ' NH1' ' A' ' 26' ' ' ARG . 41.2 t -62.45 122.48 13.32 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.487 -178.534 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -75.18 -49.93 17.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.566 179.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -142.62 144.67 32.91 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.178 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.444 HD12 ' HA ' ' A' ' 59' ' ' LEU . 9.0 tp -145.56 127.24 15.22 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.177 -179.341 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -84.58 133.01 34.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.206 -179.437 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 20.2 mtm180 -76.13 173.44 11.31 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.511 0.672 . . . . 0.0 111.083 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 25.6 mmm-85 -70.5 -8.64 52.79 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.073 179.14 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -95.81 5.57 51.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.987 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 73.49 36.77 0.76 Allowed 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.581 -0.282 . . . . 0.0 110.946 179.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 23.6 p -118.11 125.97 51.32 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.475 179.381 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -78.04 119.66 21.78 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.399 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 2.1 m-30 -111.67 122.91 49.07 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 121.632 0.73 . . . . 0.0 111.182 179.218 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -84.59 130.75 34.69 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 114.361 -1.29 . . . . 0.0 108.83 179.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -111.6 155.45 23.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 123.361 0.413 . . . . 0.0 110.295 -179.063 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.547 HD21 ' CB ' ' A' ' 72' ' ' GLU . 16.6 t30 -91.39 118.24 30.36 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.413 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.7 pttp -65.83 -20.8 66.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.978 179.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.736 ' O ' ' O ' ' A' ' 73' ' ' ARG . 9.0 mm-40 -83.29 64.47 7.79 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.736 ' O ' ' O ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER 34.83 124.55 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 121.965 0.888 . . . . 0.0 111.721 179.859 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.412 ' O ' ' OE1' ' A' ' 76' ' ' GLU . 87.2 tt0 -122.47 -22.69 5.39 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.908 179.566 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.545 ' O ' ' NE ' ' A' ' 73' ' ' ARG . 59.2 m -82.49 132.66 35.2 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.247 0.546 . . . . 0.0 111.45 -179.496 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.412 ' OE1' ' O ' ' A' ' 74' ' ' GLU . 30.6 mp0 -115.71 168.61 9.88 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.408 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -49.4 -34.55 16.6 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 121.272 0.558 . . . . 0.0 109.895 -179.051 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -59.28 -32.71 70.28 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.696 179.217 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.708 ' O ' HG23 ' A' ' 83' ' ' VAL . 81.0 mm-40 -80.97 -28.81 35.48 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.331 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.511 HG21 ' N ' ' A' ' 17' ' ' TRP . 52.8 t -57.13 -50.7 75.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 C-N-CA 120.21 -0.596 . . . . 0.0 109.441 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 70.6 m80 -64.37 -41.31 96.78 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 120.255 -0.578 . . . . 0.0 110.586 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.7 mmmt -73.25 -26.85 61.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.087 0.47 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.708 HG23 ' O ' ' A' ' 79' ' ' GLU . 63.4 t -82.69 126.87 40.07 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 CA-C-O 121.523 0.678 . . . . 0.0 111.871 -179.391 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.511 ' O ' ' NE2' ' A' ' 28' ' ' GLN . 6.3 ptpp? -105.24 126.21 51.84 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.634 178.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.786 HG13 ' CD1' ' A' ' 24' ' ' LEU . 11.3 t -95.63 120.87 45.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 -178.741 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.4 ' OH ' ' OD2' ' A' ' 34' ' ' ASP . 9.3 p90 -79.35 147.19 32.5 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.416 -179.556 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 4.7 m -125.43 132.49 70.95 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 CA-C-O 121.085 0.469 . . . . 0.0 110.554 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 52.0 p90 . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 117.92 -1.038 . . . . 0.0 110.502 -179.851 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.308 0 N-CA-C 109.546 -1.422 . . . . 0.0 109.546 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 65.7 m -70.01 153.7 42.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.761 0.315 . . . . 0.0 110.461 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -63.61 144.11 57.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.636 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 12.5 ttp -138.19 -69.38 0.44 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.639 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 46.7 ttp 60.43 110.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.336 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.63 136.49 57.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.633 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.427 ' O ' ' C ' ' A' ' 4' ' ' SER . 71.8 p -136.55 157.01 47.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.093 179.611 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 3' ' ' THR . 31.5 m 35.61 -105.88 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.639 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -143.18 111.61 6.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.386 179.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 70.0 t -70.78 129.67 34.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.57 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -92.38 151.51 41.48 Favored Pre-proline 0 C--N 1.328 -0.344 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.765 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -68.26 150.26 76.39 Favored 'Trans proline' 0 C--N 1.31 -1.462 0 C-N-CA 122.821 2.347 . . . . 0.0 112.62 179.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.6 mmmt -101.04 -36.74 8.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.695 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 70.6 m -155.55 163.23 40.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.889 179.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.3 mp -131.44 133.04 62.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.572 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.0 t -124.29 176.96 6.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.413 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.7 mpt_? -115.76 133.92 55.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.021 0.439 . . . . 0.0 110.956 -179.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.428 ' HB3' HG13 ' A' ' 80' ' ' VAL . . . -65.67 154.19 39.58 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.67 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.457 ' C ' HG11 ' A' ' 80' ' ' VAL . 71.6 mmtt -98.38 -38.46 9.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.279 -178.784 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.494 ' N ' HG11 ' A' ' 80' ' ' VAL . 87.2 tttt -151.63 154.06 35.66 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.682 -179.57 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.682 ' N ' HG21 ' A' ' 80' ' ' VAL . 57.4 t90 -49.49 132.8 20.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.826 -179.77 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.09 158.37 32.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.873 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -51.22 -36.49 41.84 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.325 -178.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -69.22 -42.68 75.41 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.825 0.345 . . . . 0.0 110.987 179.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.489 ' N ' HD13 ' A' ' 21' ' ' ILE . 4.4 mm -70.42 -57.31 8.29 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.367 0 CA-C-N 116.24 -0.436 . . . . 0.0 109.946 -178.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -47.06 -46.61 22.51 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.225 -177.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.69 -50.03 75.37 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.246 0.546 . . . . 0.0 110.975 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.799 ' CD1' HG13 ' A' ' 85' ' ' VAL . 77.2 mt -57.59 -41.97 82.22 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 119.719 -0.792 . . . . 0.0 110.538 -178.648 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.577 ' CD2' ' SG ' ' A' ' 75' ' ' CYS . 49.2 t80 -59.8 -49.48 77.56 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 120.386 -0.526 . . . . 0.0 111.565 178.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.52 ' NH2' ' O ' ' A' ' 70' ' ' ASN . 93.9 mtt180 -62.82 -47.46 83.31 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.648 -0.421 . . . . 0.0 111.227 -178.746 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -65.91 -47.56 74.37 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.403 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -56.6 -41.81 77.65 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.175 -179.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -62.35 -38.78 90.84 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.271 178.179 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.89 -15.73 63.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.615 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 104.56 1.34 43.46 Favored Glycine 0 CA--C 1.528 0.851 0 N-CA-C 111.436 -0.666 . . . . 0.0 111.436 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.641 ' CE1' HG21 ' A' ' 41' ' ' VAL . 28.3 m-85 -102.23 145.58 29.22 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-O 121.157 0.503 . . . . 0.0 110.662 -179.495 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.42 -35.48 60.97 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.698 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.592 ' OD2' HD12 ' A' ' 36' ' ' ILE . 41.7 p-10 -164.59 174.75 10.5 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.427 179.699 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -53.56 -27.53 26.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.396 -179.124 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.592 HD12 ' OD2' ' A' ' 34' ' ' ASP . 92.1 mt -59.53 -48.54 86.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 C-N-CA 120.481 -0.488 . . . . 0.0 110.986 -179.507 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 50.6 tp10 -66.38 -40.26 89.59 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.847 0.356 . . . . 0.0 110.524 -179.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -59.41 -46.97 87.21 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.226 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.548 ' O ' ' N ' ' A' ' 43' ' ' GLN . 97.9 mttt -61.15 -39.09 88.77 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.725 -179.281 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.414 ' O ' ' NE2' ' A' ' 43' ' ' GLN . 91.3 mt-30 -64.09 -42.58 96.86 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.655 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.641 HG21 ' CE1' ' A' ' 32' ' ' TYR . 78.1 t -62.64 -44.32 99.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.303 -179.475 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -95.43 -1.3 51.21 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.36 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.548 ' N ' ' O ' ' A' ' 39' ' ' LYS . 93.6 mm-40 44.46 55.71 5.52 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.354 -0.539 . . . . 0.0 110.718 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.442 HG22 ' HA ' ' A' ' 39' ' ' LYS . 32.6 m -109.4 -168.53 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.3 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -120.48 -24.13 5.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.034 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -154.45 163.31 40.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.61 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 60.9 t -104.08 135.27 42.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.297 -0.411 . . . . 0.0 109.998 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -71.48 131.47 43.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.95 0.405 . . . . 0.0 110.671 -179.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.414 ' NE ' ' O ' ' A' ' 54' ' ' GLY . 22.3 mtp180 -142.28 170.15 16.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.484 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.49 ' CD1' ' HB3' ' A' ' 71' ' ' LYS . 88.0 m95 -97.92 143.86 26.99 Favored Pre-proline 0 C--O 1.22 -0.49 0 C-N-CA 120.183 -0.607 . . . . 0.0 111.972 -179.728 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -66.73 -21.19 51.82 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 121.942 1.762 . . . . 0.0 112.194 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -58.4 -54.37 47.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.263 -178.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.446 ' OG1' ' CD2' ' A' ' 55' ' ' TYR . 61.0 p -126.29 -21.23 4.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.793 179.79 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 50' ' ' TRP . . . 84.74 23.98 47.74 Favored Glycine 0 N--CA 1.463 0.476 0 C-N-CA 120.468 -0.872 . . . . 0.0 111.541 -179.665 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.446 ' CD2' ' OG1' ' A' ' 53' ' ' THR . 21.8 m-85 -90.83 160.54 15.69 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 120.209 -0.596 . . . . 0.0 110.678 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.436 HG11 HD13 ' A' ' 59' ' ' LEU . 62.0 t -56.59 123.26 7.29 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 CA-C-N 115.087 -0.96 . . . . 0.0 110.385 -178.537 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.417 ' CD ' ' CZ2' ' A' ' 50' ' ' TRP . 23.2 ttpp -73.28 -50.97 19.31 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.593 179.588 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -144.77 149.24 35.17 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.028 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.477 HD12 ' HA ' ' A' ' 59' ' ' LEU . 7.0 tp -146.76 137.45 23.88 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.333 -0.547 . . . . 0.0 110.187 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -88.86 131.1 35.25 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.497 -179.621 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.2 mtm180 -79.02 177.99 8.37 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.423 0.63 . . . . 0.0 111.267 -179.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.0 mmt180 -71.51 -11.35 60.82 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.268 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -93.9 10.44 33.29 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.102 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 60.8 m-20 65.66 34.89 7.33 Favored 'General case' 0 N--CA 1.465 0.311 0 O-C-N 123.569 0.543 . . . . 0.0 111.101 -179.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 33.9 p -118.98 130.65 55.8 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.697 179.046 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -74.66 125.2 28.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.476 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -115.35 121.33 42.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.163 -179.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -82.5 134.11 35.2 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.269 -0.423 . . . . 0.0 109.999 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -110.22 154.55 23.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.076 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.52 ' O ' ' NH2' ' A' ' 26' ' ' ARG . 61.8 t30 -80.26 117.52 21.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.539 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.49 ' HB3' ' CD1' ' A' ' 50' ' ' TRP . 1.5 pptp? -70.78 -10.78 60.24 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.467 179.74 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.609 ' O ' ' HB2' ' A' ' 73' ' ' ARG . 2.7 tt0 -88.95 -23.65 22.63 Favored 'General case' 0 CA--C 1.498 -1.042 0 C-N-CA 119.513 -0.875 . . . . 0.0 112.826 -178.188 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.609 ' HB2' ' O ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER 129.84 132.08 0.0 OUTLIER 'General case' 0 C--N 1.312 -1.052 0 O-C-N 126.67 2.481 . . . . 0.0 110.562 -179.567 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -119.18 -22.43 7.17 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 122.018 -0.426 . . . . 0.0 111.052 178.318 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.577 ' SG ' ' CD2' ' A' ' 25' ' ' TYR . 32.8 m -79.78 116.8 20.15 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 121.411 0.624 . . . . 0.0 111.822 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.427 ' HG2' HH12 ' A' ' 73' ' ' ARG . 35.0 mt-10 -94.39 160.07 14.83 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.927 179.153 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -48.84 -41.32 32.61 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-N 116.213 -0.449 . . . . 0.0 109.841 -178.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -61.28 -21.42 63.91 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.59 179.021 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.757 ' O ' HG23 ' A' ' 83' ' ' VAL . 4.8 tt0 -83.59 -33.61 25.33 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.062 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.682 HG21 ' N ' ' A' ' 17' ' ' TRP . 43.9 t -57.29 -50.08 77.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 C-N-CA 120.038 -0.665 . . . . 0.0 109.646 179.465 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -61.79 -44.2 97.35 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 120.327 -0.549 . . . . 0.0 110.747 179.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -71.93 -27.95 63.14 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.962 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.757 HG23 ' O ' ' A' ' 79' ' ' GLU . 55.2 t -77.49 138.44 20.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.136 -179.769 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.2 ptmt -113.01 141.47 46.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.817 179.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.799 HG13 ' CD1' ' A' ' 24' ' ' LEU . 39.5 t -108.09 125.53 64.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.465 -179.298 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.539 ' CD1' ' O ' ' A' ' 86' ' ' TYR . 0.7 OUTLIER -89.48 139.64 30.32 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.597 -179.731 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 5.0 m -128.0 128.13 68.63 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 CA-C-O 121.221 0.534 . . . . 0.0 110.799 179.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 24.0 p90 . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.44 179.87 . . . . . . . . 0 0 . 1 stop_ save_